N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide

C22H21N3O4S2 — CID 17439047

IUPACN-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESO=C(Nc1ccccc1N1CCCC1=O)c1cccc(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C22H21N3O4S2/c26-21-11-4-12-25(21)20-10-2-1-9-19(20)24-22(27)16-6-3-8-18(14-16)31(28,29)23-15-17-7-5-13-30-17/h1-3,5-10,13-14,23H,4,11-12,15H2,(H,24,27)
InChIKeyRYJULVCBPUCYFJ-UHFFFAOYSA-N
MW455.56 g/mol
LogP3.61
Rot. Bonds7

About N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide

N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide (PubChem CID 17439047) has the molecular formula C22H21N3O4S2 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
PubChem CID17439047
Molecular FormulaC22H21N3O4S2
Molecular Weight455.56 g/mol
Exact Mass455.10
IUPAC NameN-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESO=C(Nc1ccccc1N1CCCC1=O)c1cccc(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C22H21N3O4S2/c26-21-11-4-12-25(21)20-10-2-1-9-19(20)24-22(27)16-6-3-8-18(14-16)31(28,29)23-15-17-7-5-13-30-17/h1-3,5-10,13-14,23H,4,11-12,15H2,(H,24,27)
InChIKeyRYJULVCBPUCYFJ-UHFFFAOYSA-N
XLogP3.61
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 56581239
N-(4-chloro-2-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26717987
3-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 3244167
3-(ethylsulfamoyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 24613493
N-(2-propyl-1,3-dihydroisoindol-5-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 47092673
N-(2-phenylsulfanylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26444819
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-pyrrol-1-ylbenzamide
CID 17426523
3-cyano-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18090514
5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-carboxamide
CID 39638037
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26955394
N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 30006239
3-(prop-2-enylsulfamoyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 30497083

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide (CID 17439047) is N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide is O=C(Nc1ccccc1N1CCCC1=O)c1cccc(S(=O)(=O)NCc2cccs2)c1.
What is the InChIKey of N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The InChIKey is RYJULVCBPUCYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S2/c26-21-11-4-12-25(21)20-10-2-1-9-19(20)24-22(27)16-6-3-8-18(14-16)31(28,29)23-15-17-7-5-13-30-17/h1-3,5-10,13-14,23H,4,11-12,15H2,(H,24,27).
What are the key properties of N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide has a molecular weight of 455.56 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 17439047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).