N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(thiophen-2-ylsulfonylamino)benzamide

C23H25N3O3S2 — CID 60505090

IUPACN-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NC(CN1CCCC1)c1ccccc1)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C23H25N3O3S2/c27-23(24-21(17-26-13-4-5-14-26)18-8-2-1-3-9-18)19-10-6-11-20(16-19)25-31(28,29)22-12-7-15-30-22/h1-3,6-12,15-16,21,25H,4-5,13-14,17H2,(H,24,27)
InChIKeyGBQZUTPVOWJORN-UHFFFAOYSA-N
MW455.61 g/mol
LogP4.12
Rot. Bonds8

About N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(thiophen-2-ylsulfonylamino)benzamide

N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 60505090) has the molecular formula C23H25N3O3S2 and a molecular weight of 455.61 g/mol. Its IUPAC name is N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID60505090
Molecular FormulaC23H25N3O3S2
Molecular Weight455.61 g/mol
Exact Mass455.13
IUPAC NameN-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NC(CN1CCCC1)c1ccccc1)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C23H25N3O3S2/c27-23(24-21(17-26-13-4-5-14-26)18-8-2-1-3-9-18)19-10-6-11-20(16-19)25-31(28,29)22-12-7-15-30-22/h1-3,6-12,15-16,21,25H,4-5,13-14,17H2,(H,24,27)
InChIKeyGBQZUTPVOWJORN-UHFFFAOYSA-N
XLogP4.12
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78896710
N-(2-phenylbutyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46489998
3-[(4-methylphenyl)sulfamoyl]-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 30102988
N-[(1-phenylcyclopropyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46492831
N-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]thiophene-2-sulfonamide
CID 55786880
N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 97137368
4-(benzenesulfonamido)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31429984
N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 120826976
(2R)-1-[3-(thiophen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 119370582
N-(1-aminohexan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119667025
N-(5-piperidin-1-yl-2-pyridinyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78899574
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78897097

Frequently Asked Questions

What is the IUPAC name of N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(thiophen-2-ylsulfonylamino)benzamide (CID 60505090) is N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(thiophen-2-ylsulfonylamino)benzamide is O=C(NC(CN1CCCC1)c1ccccc1)c1cccc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is GBQZUTPVOWJORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S2/c27-23(24-21(17-26-13-4-5-14-26)18-8-2-1-3-9-18)19-10-6-11-20(16-19)25-31(28,29)22-12-7-15-30-22/h1-3,6-12,15-16,21,25H,4-5,13-14,17H2,(H,24,27).
What are the key properties of N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(thiophen-2-ylsulfonylamino)benzamide?
N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 455.61 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 60505090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).