N-(4-anilinophenyl)-5-piperidin-1-ylsulfonyl-N-propan-2-ylfuran-2-carboxamide

C25H29N3O4S — CID 55984315

IUPACN-(4-anilinophenyl)-5-piperidin-1-ylsulfonyl-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)N(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C25H29N3O4S/c1-19(2)28(22-13-11-21(12-14-22)26-20-9-5-3-6-10-20)25(29)23-15-16-24(32-23)33(30,31)27-17-7-4-8-18-27/h3,5-6,9-16,19,26H,4,7-8,17-18H2,1-2H3
InChIKeySCMXIZDWQZJBID-UHFFFAOYSA-N
MW467.59 g/mol
LogP5.25
Rot. Bonds7

About N-(4-anilinophenyl)-5-piperidin-1-ylsulfonyl-N-propan-2-ylfuran-2-carboxamide

N-(4-anilinophenyl)-5-piperidin-1-ylsulfonyl-N-propan-2-ylfuran-2-carboxamide (PubChem CID 55984315) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is N-(4-anilinophenyl)-5-piperidin-1-ylsulfonyl-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-5-piperidin-1-ylsulfonyl-N-propan-2-ylfuran-2-carboxamide
PubChem CID55984315
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC NameN-(4-anilinophenyl)-5-piperidin-1-ylsulfonyl-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)N(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C25H29N3O4S/c1-19(2)28(22-13-11-21(12-14-22)26-20-9-5-3-6-10-20)25(29)23-15-16-24(32-23)33(30,31)27-17-7-4-8-18-27/h3,5-6,9-16,19,26H,4,7-8,17-18H2,1-2H3
InChIKeySCMXIZDWQZJBID-UHFFFAOYSA-N
XLogP5.25
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.59
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
CID 55362996
N-[(2-chlorophenyl)methyl]-N-ethyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55632364
methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate
CID 716787
N-(4-methylsulfonylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55630451
5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 55920724
3-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]propanoic acid
CID 75417895
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55633462
methyl 4-[(5-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]benzoate
CID 46547480
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55633494
N-(3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 46408539
5-piperidin-1-ylsulfonyl-N-(2-propoxyphenyl)furan-2-carboxamide
CID 46411239
(2-methyl-6-phenylmorpholin-4-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone
CID 47913591

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-5-piperidin-1-ylsulfonyl-N-propan-2-ylfuran-2-carboxamide?
The IUPAC name of N-(4-anilinophenyl)-5-piperidin-1-ylsulfonyl-N-propan-2-ylfuran-2-carboxamide (CID 55984315) is N-(4-anilinophenyl)-5-piperidin-1-ylsulfonyl-N-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for N-(4-anilinophenyl)-5-piperidin-1-ylsulfonyl-N-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for N-(4-anilinophenyl)-5-piperidin-1-ylsulfonyl-N-propan-2-ylfuran-2-carboxamide is CC(C)N(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1)c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-5-piperidin-1-ylsulfonyl-N-propan-2-ylfuran-2-carboxamide?
The InChIKey is SCMXIZDWQZJBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-19(2)28(22-13-11-21(12-14-22)26-20-9-5-3-6-10-20)25(29)23-15-16-24(32-23)33(30,31)27-17-7-4-8-18-27/h3,5-6,9-16,19,26H,4,7-8,17-18H2,1-2H3.
What are the key properties of N-(4-anilinophenyl)-5-piperidin-1-ylsulfonyl-N-propan-2-ylfuran-2-carboxamide?
N-(4-anilinophenyl)-5-piperidin-1-ylsulfonyl-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 467.59 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-5-piperidin-1-ylsulfonyl-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 55984315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).