3-[[3-[3-(furan-2-ylsulfonylmethyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-oxazole;3-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-thiazole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole

C139H139N17O14S10 — CID 159141217

IUPAC3-[[3-[3-(furan-2-ylsulfonylmethyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-oxazole;3-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-thiazole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole
SMILESO=S(=O)(Cc1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1)c1ccco1.O=S(=O)(Cc1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1)c1ccns1.O=S(=O)(Cc1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1)c1ccsn1.O=S(=O)(Cc1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1)c1cnco1.O=S(=O)(Cc1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1)c1cnsc1.O=S(=O)(Cc1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1)c1cscn1
InChIInChI=1S/C24H24N2O3S.C23H23N3O3S.4C23H23N3O2S2/c27-30(28,24-9-4-12-29-24)17-18-5-3-6-19(13-18)20-10-11-26(15-20)16-21-14-25-23-8-2-1-7-22(21)23;27-30(28,23-12-24-16-29-23)15-17-4-3-5-18(10-17)19-8-9-26(13-19)14-20-11-25-22-7-2-1-6-21(20)22;27-30(28,23-8-10-25-29-23)16-17-4-3-5-18(12-17)19-9-11-26(14-19)15-20-13-24-22-7-2-1-6-21(20)22;27-30(28,23-9-11-29-25-23)16-17-4-3-5-18(12-17)19-8-10-26(14-19)15-20-13-24-22-7-2-1-6-21(20)22;27-30(28,21-12-25-29-15-21)16-17-4-3-5-18(10-17)19-8-9-26(13-19)14-20-11-24-23-7-2-1-6-22(20)23;27-30(28,23-14-29-16-25-23)15-17-4-3-5-18(10-17)19-8-9-26(12-19)13-20-11-24-22-7-2-1-6-21(20)22/h1-9,12-14,20,25H,10-11,15-17H2;1-7,10-12,16,19,25H,8-9,13-15H2;1-8,10,12-13,19,24H,9,11,14-16H2;1-7,9,11-13,19,24H,8,10,14-16H2;1-7,10-12,15,19,24H,8-9,13-14,16H2;1-7,10-11,14,16,19,24H,8-9,12-13,15H2
InChIKeyKICQKSRHXRWHFY-UHFFFAOYSA-N
MW2592.42 g/mol
LogP27.19
Rot. Bonds36

About 3-[[3-[3-(furan-2-ylsulfonylmethyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-oxazole;3-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-thiazole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole

3-[[3-[3-(furan-2-ylsulfonylmethyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-oxazole;3-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-thiazole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole (PubChem CID 159141217) has the molecular formula C139H139N17O14S10 and a molecular weight of 2592.42 g/mol. Its IUPAC name is 3-[[3-[3-(furan-2-ylsulfonylmethyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-oxazole;3-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-thiazole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole.

Molecular Properties

Compound Name3-[[3-[3-(furan-2-ylsulfonylmethyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-oxazole;3-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-thiazole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole
PubChem CID159141217
Molecular FormulaC139H139N17O14S10
Molecular Weight2592.42 g/mol
Exact Mass2589.79
IUPAC Name3-[[3-[3-(furan-2-ylsulfonylmethyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-oxazole;3-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-thiazole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole
SMILESO=S(=O)(Cc1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1)c1ccco1.O=S(=O)(Cc1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1)c1ccns1.O=S(=O)(Cc1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1)c1ccsn1.O=S(=O)(Cc1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1)c1cnco1.O=S(=O)(Cc1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1)c1cnsc1.O=S(=O)(Cc1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1)c1cscn1
InChIInChI=1S/C24H24N2O3S.C23H23N3O3S.4C23H23N3O2S2/c27-30(28,24-9-4-12-29-24)17-18-5-3-6-19(13-18)20-10-11-26(15-20)16-21-14-25-23-8-2-1-7-22(21)23;27-30(28,23-12-24-16-29-23)15-17-4-3-5-18(10-17)19-8-9-26(13-19)14-20-11-25-22-7-2-1-6-21(20)22;27-30(28,23-8-10-25-29-23)16-17-4-3-5-18(12-17)19-9-11-26(14-19)15-20-13-24-22-7-2-1-6-21(20)22;27-30(28,23-9-11-29-25-23)16-17-4-3-5-18(12-17)19-8-10-26(14-19)15-20-13-24-22-7-2-1-6-21(20)22;27-30(28,21-12-25-29-15-21)16-17-4-3-5-18(10-17)19-8-9-26(13-19)14-20-11-24-23-7-2-1-6-22(20)23;27-30(28,23-14-29-16-25-23)15-17-4-3-5-18(10-17)19-8-9-26(12-19)13-20-11-24-22-7-2-1-6-21(20)22/h1-9,12-14,20,25H,10-11,15-17H2;1-7,10-12,16,19,25H,8-9,13-15H2;1-8,10,12-13,19,24H,9,11,14-16H2;1-7,9,11-13,19,24H,8,10,14-16H2;1-7,10-12,15,19,24H,8-9,13-14,16H2;1-7,10-11,14,16,19,24H,8-9,12-13,15H2
InChIKeyKICQKSRHXRWHFY-UHFFFAOYSA-N
XLogP27.19
TPSA409.75 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds36
Heavy Atoms180
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002592.42
LogP ≤ 527.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Analyze 3-[[3-[3-(furan-2-ylsulfonylmethyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-oxazole;3-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-thiazole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[3-(furan-2-ylsulfonylmethyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-oxazole;3-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-thiazole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole?
The IUPAC name of 3-[[3-[3-(furan-2-ylsulfonylmethyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-oxazole;3-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-thiazole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole (CID 159141217) is 3-[[3-[3-(furan-2-ylsulfonylmethyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-oxazole;3-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-thiazole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole.
What is the SMILES notation for 3-[[3-[3-(furan-2-ylsulfonylmethyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-oxazole;3-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-thiazole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole?
The canonical SMILES for 3-[[3-[3-(furan-2-ylsulfonylmethyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-oxazole;3-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-thiazole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole is O=S(=O)(Cc1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1)c1ccco1.O=S(=O)(Cc1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1)c1ccns1.O=S(=O)(Cc1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1)c1ccsn1.O=S(=O)(Cc1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1)c1cnco1.O=S(=O)(Cc1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1)c1cnsc1.O=S(=O)(Cc1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1)c1cscn1.
What is the InChIKey of 3-[[3-[3-(furan-2-ylsulfonylmethyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-oxazole;3-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-thiazole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole?
The InChIKey is KICQKSRHXRWHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S.C23H23N3O3S.4C23H23N3O2S2/c27-30(28,24-9-4-12-29-24)17-18-5-3-6-19(13-18)20-10-11-26(15-20)16-21-14-25-23-8-2-1-7-22(21)23;27-30(28,23-12-24-16-29-23)15-17-4-3-5-18(10-17)19-8-9-26(13-19)14-20-11-25-22-7-2-1-6-21(20)22;27-30(28,23-8-10-25-29-23)16-17-4-3-5-18(12-17)19-9-11-26(14-19)15-20-13-24-22-7-2-1-6-21(20)22;27-30(28,23-9-11-29-25-23)16-17-4-3-5-18(12-17)19-8-10-26(14-19)15-20-13-24-22-7-2-1-6-21(20)22;27-30(28,21-12-25-29-15-21)16-17-4-3-5-18(10-17)19-8-9-26(13-19)14-20-11-24-23-7-2-1-6-22(20)23;27-30(28,23-14-29-16-25-23)15-17-4-3-5-18(10-17)19-8-9-26(12-19)13-20-11-24-22-7-2-1-6-21(20)22/h1-9,12-14,20,25H,10-11,15-17H2;1-7,10-12,16,19,25H,8-9,13-15H2;1-8,10,12-13,19,24H,9,11,14-16H2;1-7,9,11-13,19,24H,8,10,14-16H2;1-7,10-12,15,19,24H,8-9,13-14,16H2;1-7,10-11,14,16,19,24H,8-9,12-13,15H2.
What are the key properties of 3-[[3-[3-(furan-2-ylsulfonylmethyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-oxazole;3-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-thiazole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole?
3-[[3-[3-(furan-2-ylsulfonylmethyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-oxazole;3-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-thiazole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole has a molecular weight of 2592.42 g/mol, XLogP of 27.19, 36 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[3-(furan-2-ylsulfonylmethyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-oxazole;3-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-thiazole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole is sourced from PubChem (CID 159141217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).