N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide

C18H21ClN2O5S2 — CID 53067911

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
SMILESCOc1cc(OC)c(NS(=O)(=O)c2ccc(CC(=O)N3CCCC3)s2)cc1Cl
InChIInChI=1S/C18H21ClN2O5S2/c1-25-15-11-16(26-2)14(10-13(15)19)20-28(23,24)18-6-5-12(27-18)9-17(22)21-7-3-4-8-21/h5-6,10-11,20H,3-4,7-9H2,1-2H3
InChIKeyWLQMWEACEJMMJC-UHFFFAOYSA-N
MW444.96 g/mol
LogP3.38
Rot. Bonds7

About N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide

N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide (PubChem CID 53067911) has the molecular formula C18H21ClN2O5S2 and a molecular weight of 444.96 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
PubChem CID53067911
Molecular FormulaC18H21ClN2O5S2
Molecular Weight444.96 g/mol
Exact Mass444.06
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
SMILESCOc1cc(OC)c(NS(=O)(=O)c2ccc(CC(=O)N3CCCC3)s2)cc1Cl
InChIInChI=1S/C18H21ClN2O5S2/c1-25-15-11-16(26-2)14(10-13(15)19)20-28(23,24)18-6-5-12(27-18)9-17(22)21-7-3-4-8-21/h5-6,10-11,20H,3-4,7-9H2,1-2H3
InChIKeyWLQMWEACEJMMJC-UHFFFAOYSA-N
XLogP3.38
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3,4-dimethylphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)thiophene-2-sulfonamide
CID 53067981
5-(2-oxo-2-piperidin-1-ylethyl)-N-(4-propan-2-ylphenyl)thiophene-2-sulfonamide
CID 53067986
N-(5-chloro-2,4-dimethoxyphenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
CID 53132672
2-[5-(azepan-1-ylsulfonyl)thiophen-2-yl]-1-piperidin-1-ylethanone
CID 53067970
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119545474
N-(5-chloro-2,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7938312
N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropanecarbonyl)benzenesulfonamide
CID 110427928
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate
CID 25041466
1-(azepan-1-yl)-2-(3-chloro-4-methoxyphenyl)ethanone
CID 110767076
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxy-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 42910845
N-(5-chloro-2,4-dimethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7510365
N-(5-chloro-2,4-dimethoxyphenyl)-4-(dimethylamino)benzenesulfonamide
CID 167884327

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide (CID 53067911) is N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide is COc1cc(OC)c(NS(=O)(=O)c2ccc(CC(=O)N3CCCC3)s2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide?
The InChIKey is WLQMWEACEJMMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O5S2/c1-25-15-11-16(26-2)14(10-13(15)19)20-28(23,24)18-6-5-12(27-18)9-17(22)21-7-3-4-8-21/h5-6,10-11,20H,3-4,7-9H2,1-2H3.
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide?
N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide has a molecular weight of 444.96 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 53067911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).