3-(1H-indol-2-yl)-N-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-pyrrolidin-1-ylbenzenesulfonamide

C26H32N4O4S — CID 168940994

IUPAC3-(1H-indol-2-yl)-N-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-pyrrolidin-1-ylbenzenesulfonamide
SMILESC[C@@H](C(=O)N1CCOCC1)N(C)S(=O)(=O)c1ccc(N2CCCC2)c(-c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C26H32N4O4S/c1-19(26(31)30-13-15-34-16-14-30)28(2)35(32,33)21-9-10-25(29-11-5-6-12-29)22(18-21)24-17-20-7-3-4-8-23(20)27-24/h3-4,7-10,17-19,27H,5-6,11-16H2,1-2H3/t19-/m0/s1
InChIKeyGXTJVUREQLDAKJ-IBGZPJMESA-N
MW496.63 g/mol
LogP3.30
Rot. Bonds6

About 3-(1H-indol-2-yl)-N-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-pyrrolidin-1-ylbenzenesulfonamide

3-(1H-indol-2-yl)-N-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-pyrrolidin-1-ylbenzenesulfonamide (PubChem CID 168940994) has the molecular formula C26H32N4O4S and a molecular weight of 496.63 g/mol. Its IUPAC name is 3-(1H-indol-2-yl)-N-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-pyrrolidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-(1H-indol-2-yl)-N-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-pyrrolidin-1-ylbenzenesulfonamide
PubChem CID168940994
Molecular FormulaC26H32N4O4S
Molecular Weight496.63 g/mol
Exact Mass496.21
IUPAC Name3-(1H-indol-2-yl)-N-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-pyrrolidin-1-ylbenzenesulfonamide
SMILESC[C@@H](C(=O)N1CCOCC1)N(C)S(=O)(=O)c1ccc(N2CCCC2)c(-c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C26H32N4O4S/c1-19(26(31)30-13-15-34-16-14-30)28(2)35(32,33)21-9-10-25(29-11-5-6-12-29)22(18-21)24-17-20-7-3-4-8-23(20)27-24/h3-4,7-10,17-19,27H,5-6,11-16H2,1-2H3/t19-/m0/s1
InChIKeyGXTJVUREQLDAKJ-IBGZPJMESA-N
XLogP3.30
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.63
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-2-yl)-N-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-pyrrolidin-1-ylbenzenesulfonamide?
The IUPAC name of 3-(1H-indol-2-yl)-N-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-pyrrolidin-1-ylbenzenesulfonamide (CID 168940994) is 3-(1H-indol-2-yl)-N-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-pyrrolidin-1-ylbenzenesulfonamide.
What is the SMILES notation for 3-(1H-indol-2-yl)-N-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-pyrrolidin-1-ylbenzenesulfonamide?
The canonical SMILES for 3-(1H-indol-2-yl)-N-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-pyrrolidin-1-ylbenzenesulfonamide is C[C@@H](C(=O)N1CCOCC1)N(C)S(=O)(=O)c1ccc(N2CCCC2)c(-c2cc3ccccc3[nH]2)c1.
What is the InChIKey of 3-(1H-indol-2-yl)-N-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-pyrrolidin-1-ylbenzenesulfonamide?
The InChIKey is GXTJVUREQLDAKJ-IBGZPJMESA-N. The full InChI is InChI=1S/C26H32N4O4S/c1-19(26(31)30-13-15-34-16-14-30)28(2)35(32,33)21-9-10-25(29-11-5-6-12-29)22(18-21)24-17-20-7-3-4-8-23(20)27-24/h3-4,7-10,17-19,27H,5-6,11-16H2,1-2H3/t19-/m0/s1.
What are the key properties of 3-(1H-indol-2-yl)-N-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-pyrrolidin-1-ylbenzenesulfonamide?
3-(1H-indol-2-yl)-N-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-pyrrolidin-1-ylbenzenesulfonamide has a molecular weight of 496.63 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-2-yl)-N-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-pyrrolidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 168940994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).