N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide

C30H34N2O6S — CID 15958412

IUPACN-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc([C@H]2CC(=O)N(c3cccc(NS(=O)(=O)c4cc(C)ccc4OC)c3)C2)cc1OC1CCCC1
InChIInChI=1S/C30H34N2O6S/c1-20-11-13-27(37-3)29(15-20)39(34,35)31-23-7-6-8-24(18-23)32-19-22(17-30(32)33)21-12-14-26(36-2)28(16-21)38-25-9-4-5-10-25/h6-8,11-16,18,22,25,31H,4-5,9-10,17,19H2,1-3H3/t22-/m0/s1
InChIKeyABPCPPLTQHSSRR-QFIPXVFZSA-N
MW550.68 g/mol
LogP5.65
Rot. Bonds9

About N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide

N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 15958412) has the molecular formula C30H34N2O6S and a molecular weight of 550.68 g/mol. Its IUPAC name is N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide
PubChem CID15958412
Molecular FormulaC30H34N2O6S
Molecular Weight550.68 g/mol
Exact Mass550.21
IUPAC NameN-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc([C@H]2CC(=O)N(c3cccc(NS(=O)(=O)c4cc(C)ccc4OC)c3)C2)cc1OC1CCCC1
InChIInChI=1S/C30H34N2O6S/c1-20-11-13-27(37-3)29(15-20)39(34,35)31-23-7-6-8-24(18-23)32-19-22(17-30(32)33)21-12-14-26(36-2)28(16-21)38-25-9-4-5-10-25/h6-8,11-16,18,22,25,31H,4-5,9-10,17,19H2,1-3H3/t22-/m0/s1
InChIKeyABPCPPLTQHSSRR-QFIPXVFZSA-N
XLogP5.65
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.68
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-(4-methylsulfonylphenyl)pyrrolidin-2-one
CID 11743380
(R)-1-(3-aminophenyl)-4-(3-(cyclopentyloxy)-4-methoxyphenyl)pyrrolidin-2-one
CID 15958380
Benzenesulfonamide, N-[3-[(4R)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]-2-oxo-1-pyrrolidinyl]phenyl]-3-methoxy-
CID 15958408
(4R)-1-(3-amino-5-fluoro-phenyl)-4-[3-(cyclopentoxy)-4-methoxy-phenyl]pyrrolidin-2-one
CID 10407678
(4R)-1-(3-amino-4-methyl-phenyl)-4-[3-(cyclopentoxy)-4-methoxy-phenyl]pyrrolidin-2-one
CID 15958389
(4R)-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-(4-methylsulfinylphenyl)pyrrolidin-2-one
CID 15958399
Benzenesulfonamide, N-[3-[(4R)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]-2-oxo-1-pyrrolidinyl]phenyl]-4-methoxy-
CID 15958409
Benzenesulfonamide, N-[3-[(4R)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]-2-oxo-1-pyrrolidinyl]phenyl]-3-(trifluoromethoxy)-
CID 15958410
Benzenesulfonamide, N-[3-[(4R)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]-2-oxo-1-pyrrolidinyl]phenyl]-2,5-dimethoxy-
CID 15958411
Benzenesulfonamide, N-[3-[(4R)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]-2-oxo-1-pyrrolidinyl]phenyl]-2-methyl-3-chloro-
CID 15958413
2-chloro-N-[3-[(4R)-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-oxo-pyrrolidin-1-yl]phenyl]benzenesulfonamide
CID 15958414
3-chloro-N-[3-[(4R)-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-oxo-pyrrolidin-1-yl]phenyl]benzenesulfonamide
CID 15958415

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide (CID 15958412) is N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide is COc1ccc([C@H]2CC(=O)N(c3cccc(NS(=O)(=O)c4cc(C)ccc4OC)c3)C2)cc1OC1CCCC1.
What is the InChIKey of N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is ABPCPPLTQHSSRR-QFIPXVFZSA-N. The full InChI is InChI=1S/C30H34N2O6S/c1-20-11-13-27(37-3)29(15-20)39(34,35)31-23-7-6-8-24(18-23)32-19-22(17-30(32)33)21-12-14-26(36-2)28(16-21)38-25-9-4-5-10-25/h6-8,11-16,18,22,25,31H,4-5,9-10,17,19H2,1-3H3/t22-/m0/s1.
What are the key properties of N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide?
N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 550.68 g/mol, XLogP of 5.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 15958412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).