N-(4-sulfamoylphenyl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide

C17H21N3O3S2 — CID 30101437

IUPACN-(4-sulfamoylphenyl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCN2CCC[C@H]2c2cccs2)cc1
InChIInChI=1S/C17H21N3O3S2/c18-25(22,23)14-7-5-13(6-8-14)19-17(21)9-11-20-10-1-3-15(20)16-4-2-12-24-16/h2,4-8,12,15H,1,3,9-11H2,(H,19,21)(H2,18,22,23)/t15-/m0/s1
InChIKeyIVKAOXGJVSDQKG-HNNXBMFYSA-N
MW379.51 g/mol
LogP2.56
Rot. Bonds6

About N-(4-sulfamoylphenyl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide

N-(4-sulfamoylphenyl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide (PubChem CID 30101437) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-(4-sulfamoylphenyl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-sulfamoylphenyl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
PubChem CID30101437
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC NameN-(4-sulfamoylphenyl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCN2CCC[C@H]2c2cccs2)cc1
InChIInChI=1S/C17H21N3O3S2/c18-25(22,23)14-7-5-13(6-8-14)19-17(21)9-11-20-10-1-3-15(20)16-4-2-12-24-16/h2,4-8,12,15H,1,3,9-11H2,(H,19,21)(H2,18,22,23)/t15-/m0/s1
InChIKeyIVKAOXGJVSDQKG-HNNXBMFYSA-N
XLogP2.56
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9166137
N-cyclopropyl-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 34187335
N-(4-methylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446431
methyl 3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanoate
CID 94488312
N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 8539041
3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 86952115
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propanamide
CID 24589235
N-(4-methoxy-2-nitrophenyl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propanamide
CID 55521053
ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-3-carboxylate
CID 24588712
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
N-(2,6-dimethylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446407
ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxylate
CID 24588628

Frequently Asked Questions

What is the IUPAC name of N-(4-sulfamoylphenyl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide?
The IUPAC name of N-(4-sulfamoylphenyl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide (CID 30101437) is N-(4-sulfamoylphenyl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(4-sulfamoylphenyl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(4-sulfamoylphenyl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide is NS(=O)(=O)c1ccc(NC(=O)CCN2CCC[C@H]2c2cccs2)cc1.
What is the InChIKey of N-(4-sulfamoylphenyl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide?
The InChIKey is IVKAOXGJVSDQKG-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c18-25(22,23)14-7-5-13(6-8-14)19-17(21)9-11-20-10-1-3-15(20)16-4-2-12-24-16/h2,4-8,12,15H,1,3,9-11H2,(H,19,21)(H2,18,22,23)/t15-/m0/s1.
What are the key properties of N-(4-sulfamoylphenyl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide?
N-(4-sulfamoylphenyl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide has a molecular weight of 379.51 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-sulfamoylphenyl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 30101437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).