(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(2-pyridin-2-ylethyl)propanamide

C27H31ClN4O4S — CID 10289601

IUPAC(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCC(C)N(CCc1ccccn1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C27H31ClN4O4S/c1-18(2)31(14-11-23-6-4-5-13-29-23)26(33)19(3)32-15-12-25(27(32)34)30-37(35,36)24-10-8-20-16-22(28)9-7-21(20)17-24/h4-10,13,16-19,25,30H,11-12,14-15H2,1-3H3/t19-,25-/m0/s1
InChIKeyDMXBLIZKSSZALH-DFBJGRDBSA-N
MW543.09 g/mol
LogP3.64
Rot. Bonds9

About (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(2-pyridin-2-ylethyl)propanamide

(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 10289601) has the molecular formula C27H31ClN4O4S and a molecular weight of 543.09 g/mol. Its IUPAC name is (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID10289601
Molecular FormulaC27H31ClN4O4S
Molecular Weight543.09 g/mol
Exact Mass542.18
IUPAC Name(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCC(C)N(CCc1ccccn1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C27H31ClN4O4S/c1-18(2)31(14-11-23-6-4-5-13-29-23)26(33)19(3)32-15-12-25(27(32)34)30-37(35,36)24-10-8-20-16-22(28)9-7-21(20)17-24/h4-10,13,16-19,25,30H,11-12,14-15H2,1-3H3/t19-,25-/m0/s1
InChIKeyDMXBLIZKSSZALH-DFBJGRDBSA-N
XLogP3.64
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.09
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(2-pyridin-2-ylethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(2-pyridin-2-ylethyl)propanamide (CID 10289601) is (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(2-pyridin-2-ylethyl)propanamide is CC(C)N(CCc1ccccn1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O.
What is the InChIKey of (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is DMXBLIZKSSZALH-DFBJGRDBSA-N. The full InChI is InChI=1S/C27H31ClN4O4S/c1-18(2)31(14-11-23-6-4-5-13-29-23)26(33)19(3)32-15-12-25(27(32)34)30-37(35,36)24-10-8-20-16-22(28)9-7-21(20)17-24/h4-10,13,16-19,25,30H,11-12,14-15H2,1-3H3/t19-,25-/m0/s1.
What are the key properties of (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(2-pyridin-2-ylethyl)propanamide?
(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 543.09 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 10289601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).