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

C30H34N2O7S — CID 15958411

IUPACN-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cccc(N3C[C@@H](c4ccc(OC)c(OC5CCCC5)c4)CC3=O)c2)c1
InChIInChI=1S/C30H34N2O7S/c1-36-25-12-14-27(38-3)29(18-25)40(34,35)31-22-7-6-8-23(17-22)32-19-21(16-30(32)33)20-11-13-26(37-2)28(15-20)39-24-9-4-5-10-24/h6-8,11-15,17-18,21,24,31H,4-5,9-10,16,19H2,1-3H3/t21-/m0/s1
InChIKeyMPWFFQJJNUOJHK-NRFANRHFSA-N
MW566.68 g/mol
LogP5.36
Rot. Bonds10

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

N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 15958411) has the molecular formula C30H34N2O7S and a molecular weight of 566.68 g/mol. Its IUPAC name is N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2,5-dimethoxybenzenesulfonamide
PubChem CID15958411
Molecular FormulaC30H34N2O7S
Molecular Weight566.68 g/mol
Exact Mass566.21
IUPAC NameN-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cccc(N3C[C@@H](c4ccc(OC)c(OC5CCCC5)c4)CC3=O)c2)c1
InChIInChI=1S/C30H34N2O7S/c1-36-25-12-14-27(38-3)29(18-25)40(34,35)31-22-7-6-8-23(17-22)32-19-21(16-30(32)33)20-11-13-26(37-2)28(15-20)39-24-9-4-5-10-24/h6-8,11-15,17-18,21,24,31H,4-5,9-10,16,19H2,1-3H3/t21-/m0/s1
InChIKeyMPWFFQJJNUOJHK-NRFANRHFSA-N
XLogP5.36
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.68
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2,5-dimethoxybenzenesulfonamide (CID 15958411) is N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2cccc(N3C[C@@H](c4ccc(OC)c(OC5CCCC5)c4)CC3=O)c2)c1.
What is the InChIKey of N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is MPWFFQJJNUOJHK-NRFANRHFSA-N. The full InChI is InChI=1S/C30H34N2O7S/c1-36-25-12-14-27(38-3)29(18-25)40(34,35)31-22-7-6-8-23(17-22)32-19-21(16-30(32)33)20-11-13-26(37-2)28(15-20)39-24-9-4-5-10-24/h6-8,11-15,17-18,21,24,31H,4-5,9-10,16,19H2,1-3H3/t21-/m0/s1.
What are the key properties of N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2,5-dimethoxybenzenesulfonamide?
N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 566.68 g/mol, XLogP of 5.36, 10 rotatable bonds, 1 hydrogen bond donors, and 7 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]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 15958411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).