N-[(2S)-2-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide

C20H24N2O3S — CID 9302382

IUPACN-[(2S)-2-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESC[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O3S/c1-16(17-7-3-2-4-8-17)15-21-20(23)18-9-11-19(12-10-18)26(24,25)22-13-5-6-14-22/h2-4,7-12,16H,5-6,13-15H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyGVVNHLDKFPQKHD-MRXNPFEDSA-N
MW372.49 g/mol
LogP3.00
Rot. Bonds6

About N-[(2S)-2-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[(2S)-2-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 9302382) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[(2S)-2-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID9302382
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[(2S)-2-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESC[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O3S/c1-16(17-7-3-2-4-8-17)15-21-20(23)18-9-11-19(12-10-18)26(24,25)22-13-5-6-14-22/h2-4,7-12,16H,5-6,13-15H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyGVVNHLDKFPQKHD-MRXNPFEDSA-N
XLogP3.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-phenylpropyl]-3-piperidin-1-ylsulfonylbenzamide
CID 9302186
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(2-phenylpropyl)benzamide
CID 133229213
N-[2-(diethylamino)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 46432914
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8794925
N-[2-(dimethylamino)-3-methylbutyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 24650096
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
4-(dimethylsulfamoyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 9301395
(2S)-2-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]acetate
CID 7059174
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 8743522
4-[(4-methylphenyl)sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164353
4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 9164348
N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8919211

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(2S)-2-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 9302382) is N-[(2S)-2-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2S)-2-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(2S)-2-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide is C[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is GVVNHLDKFPQKHD-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16(17-7-3-2-4-8-17)15-21-20(23)18-9-11-19(12-10-18)26(24,25)22-13-5-6-14-22/h2-4,7-12,16H,5-6,13-15H2,1H3,(H,21,23)/t16-/m1/s1.
What are the key properties of N-[(2S)-2-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[(2S)-2-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 372.49 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 9302382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).