5-chloro-2-methoxy-N-methyl-3-[2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidin-1-yl]sulfonylbenzamide

C19H21ClN2O5S2 — CID 155969247

IUPAC5-chloro-2-methoxy-N-methyl-3-[2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidin-1-yl]sulfonylbenzamide
SMILESCNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCCC2CC(=O)c2cccs2)c1OC
InChIInChI=1S/C19H21ClN2O5S2/c1-21-19(24)14-9-12(20)10-17(18(14)27-2)29(25,26)22-7-3-5-13(22)11-15(23)16-6-4-8-28-16/h4,6,8-10,13H,3,5,7,11H2,1-2H3,(H,21,24)
InChIKeyAKSRSECZIUTNKI-UHFFFAOYSA-N
MW456.97 g/mol
LogP3.20
Rot. Bonds7

About 5-chloro-2-methoxy-N-methyl-3-[2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidin-1-yl]sulfonylbenzamide

5-chloro-2-methoxy-N-methyl-3-[2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidin-1-yl]sulfonylbenzamide (PubChem CID 155969247) has the molecular formula C19H21ClN2O5S2 and a molecular weight of 456.97 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-methyl-3-[2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-methyl-3-[2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidin-1-yl]sulfonylbenzamide
PubChem CID155969247
Molecular FormulaC19H21ClN2O5S2
Molecular Weight456.97 g/mol
Exact Mass456.06
IUPAC Name5-chloro-2-methoxy-N-methyl-3-[2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidin-1-yl]sulfonylbenzamide
SMILESCNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCCC2CC(=O)c2cccs2)c1OC
InChIInChI=1S/C19H21ClN2O5S2/c1-21-19(24)14-9-12(20)10-17(18(14)27-2)29(25,26)22-7-3-5-13(22)11-15(23)16-6-4-8-28-16/h4,6,8-10,13H,3,5,7,11H2,1-2H3,(H,21,24)
InChIKeyAKSRSECZIUTNKI-UHFFFAOYSA-N
XLogP3.20
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.97
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-2-methoxy-N-methyl-3-[2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidin-1-yl]sulfonylbenzamide 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

5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbenzamide
CID 120894133
2-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanone
CID 97340121
N-ethyl-N-methyl-2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide
CID 75448273
3,4,5-trimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide
CID 41222933
N-methyl-N'-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide
CID 7286403
2-[(2S)-1-(4-chlorobenzoyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanone
CID 95974386
(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61408705
(2R)-N-[3-(methylcarbamoyl)thiophen-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614856
3,4-dimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286421
3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 15167696
3-methoxy-1-methyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]pyrazole-4-carboxamide
CID 51894947
2-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]acetic acid
CID 61372074

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-methyl-3-[2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidin-1-yl]sulfonylbenzamide?
The IUPAC name of 5-chloro-2-methoxy-N-methyl-3-[2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidin-1-yl]sulfonylbenzamide (CID 155969247) is 5-chloro-2-methoxy-N-methyl-3-[2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-methyl-3-[2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidin-1-yl]sulfonylbenzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-methyl-3-[2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidin-1-yl]sulfonylbenzamide is CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCCC2CC(=O)c2cccs2)c1OC.
What is the InChIKey of 5-chloro-2-methoxy-N-methyl-3-[2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidin-1-yl]sulfonylbenzamide?
The InChIKey is AKSRSECZIUTNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5S2/c1-21-19(24)14-9-12(20)10-17(18(14)27-2)29(25,26)22-7-3-5-13(22)11-15(23)16-6-4-8-28-16/h4,6,8-10,13H,3,5,7,11H2,1-2H3,(H,21,24).
What are the key properties of 5-chloro-2-methoxy-N-methyl-3-[2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidin-1-yl]sulfonylbenzamide?
5-chloro-2-methoxy-N-methyl-3-[2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidin-1-yl]sulfonylbenzamide has a molecular weight of 456.97 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-methyl-3-[2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 155969247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).