N-(pyrrolidin-2-ylmethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide

C18H23N3O3S2 — CID 119512591

IUPACN-(pyrrolidin-2-ylmethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
SMILESO=C(NCC1CCCN1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1
InChIInChI=1S/C18H23N3O3S2/c22-18(20-13-15-3-1-10-19-15)14-5-7-17(8-6-14)26(23,24)21-11-9-16-4-2-12-25-16/h2,4-8,12,15,19,21H,1,3,9-11,13H2,(H,20,22)
InChIKeyFZERECFKOGSAOS-UHFFFAOYSA-N
MW393.53 g/mol
LogP1.75
Rot. Bonds8

About N-(pyrrolidin-2-ylmethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide

N-(pyrrolidin-2-ylmethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide (PubChem CID 119512591) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
PubChem CID119512591
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC NameN-(pyrrolidin-2-ylmethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
SMILESO=C(NCC1CCCN1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1
InChIInChI=1S/C18H23N3O3S2/c22-18(20-13-15-3-1-10-19-15)14-5-7-17(8-6-14)26(23,24)21-11-9-16-4-2-12-25-16/h2,4-8,12,15,19,21H,1,3,9-11,13H2,(H,20,22)
InChIKeyFZERECFKOGSAOS-UHFFFAOYSA-N
XLogP1.75
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-4-[[4-(2-thiophen-2-ylethylsulfamoyl)benzoyl]amino]benzamide
CID 55959107
N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 30854127
4-(3-methylpiperazine-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 119578855
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55835655
4-[(4-fluorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510406
N-methyl-4-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]benzamide
CID 104972549
4-[(4-fluorophenyl)sulfonylamino]-N-(2-thiophen-2-ylethyl)benzamide
CID 27770451
N-[3-(4-methoxyphenyl)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55976933
N-(2-morpholin-4-yl-2-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 43060346
N-cyclohexyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 3228850
N-cyclopentyl-3-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 72938546
N-(1-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 46596325

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide (CID 119512591) is N-(pyrrolidin-2-ylmethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide is O=C(NCC1CCCN1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The InChIKey is FZERECFKOGSAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c22-18(20-13-15-3-1-10-19-15)14-5-7-17(8-6-14)26(23,24)21-11-9-16-4-2-12-25-16/h2,4-8,12,15,19,21H,1,3,9-11,13H2,(H,20,22).
What are the key properties of N-(pyrrolidin-2-ylmethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
N-(pyrrolidin-2-ylmethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide has a molecular weight of 393.53 g/mol, XLogP of 1.75, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide is sourced from PubChem (CID 119512591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).