2-chloro-5-(diethylsulfamoyl)-N-[(1R,2R)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide

C22H30ClN3O3S2 — CID 2374684

IUPAC2-chloro-5-(diethylsulfamoyl)-N-[(1R,2R)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)[C@H](c2cccs2)N2CCCC2)c1
InChIInChI=1S/C22H30ClN3O3S2/c1-4-26(5-2)31(28,29)17-10-11-19(23)18(15-17)22(27)24-16(3)21(20-9-8-14-30-20)25-12-6-7-13-25/h8-11,14-16,21H,4-7,12-13H2,1-3H3,(H,24,27)/t16-,21-/m1/s1
InChIKeyPHFJYWOZRXOMNY-IIBYNOLFSA-N
MW484.09 g/mol
LogP4.39
Rot. Bonds9

About 2-chloro-5-(diethylsulfamoyl)-N-[(1R,2R)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide

2-chloro-5-(diethylsulfamoyl)-N-[(1R,2R)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide (PubChem CID 2374684) has the molecular formula C22H30ClN3O3S2 and a molecular weight of 484.09 g/mol. Its IUPAC name is 2-chloro-5-(diethylsulfamoyl)-N-[(1R,2R)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(diethylsulfamoyl)-N-[(1R,2R)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide
PubChem CID2374684
Molecular FormulaC22H30ClN3O3S2
Molecular Weight484.09 g/mol
Exact Mass483.14
IUPAC Name2-chloro-5-(diethylsulfamoyl)-N-[(1R,2R)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)[C@H](c2cccs2)N2CCCC2)c1
InChIInChI=1S/C22H30ClN3O3S2/c1-4-26(5-2)31(28,29)17-10-11-19(23)18(15-17)22(27)24-16(3)21(20-9-8-14-30-20)25-12-6-7-13-25/h8-11,14-16,21H,4-7,12-13H2,1-3H3,(H,24,27)/t16-,21-/m1/s1
InChIKeyPHFJYWOZRXOMNY-IIBYNOLFSA-N
XLogP4.39
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.09
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-5-(diethylsulfamoyl)-N-[(1R,2R)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide 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

3-(diethylsulfamoyl)-N-[(1S,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide
CID 2330968
methyl 3-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate
CID 46603309
N-[(2R)-butan-2-yl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2478774
3-(azepan-1-ylsulfonyl)-N-[(1R,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide
CID 25360181
4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 78774378
4-nitro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide
CID 5066476
N-[2-(azepan-1-yl)ethyl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46387530
(2S)-2-(azocan-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propanamide
CID 8583559
2-chloro-5-(diethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364284
4-chloro-N-[(1R,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 7110760
2-chloro-5-(diethylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 18274938
2-chloro-N-(3-cyanothiophen-2-yl)-5-(diethylsulfamoyl)benzamide
CID 26187229

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-[(1R,2R)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide?
The IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-[(1R,2R)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide (CID 2374684) is 2-chloro-5-(diethylsulfamoyl)-N-[(1R,2R)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-5-(diethylsulfamoyl)-N-[(1R,2R)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-5-(diethylsulfamoyl)-N-[(1R,2R)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)[C@H](c2cccs2)N2CCCC2)c1.
What is the InChIKey of 2-chloro-5-(diethylsulfamoyl)-N-[(1R,2R)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide?
The InChIKey is PHFJYWOZRXOMNY-IIBYNOLFSA-N. The full InChI is InChI=1S/C22H30ClN3O3S2/c1-4-26(5-2)31(28,29)17-10-11-19(23)18(15-17)22(27)24-16(3)21(20-9-8-14-30-20)25-12-6-7-13-25/h8-11,14-16,21H,4-7,12-13H2,1-3H3,(H,24,27)/t16-,21-/m1/s1.
What are the key properties of 2-chloro-5-(diethylsulfamoyl)-N-[(1R,2R)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide?
2-chloro-5-(diethylsulfamoyl)-N-[(1R,2R)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide has a molecular weight of 484.09 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(diethylsulfamoyl)-N-[(1R,2R)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide is sourced from PubChem (CID 2374684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).