N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide

C17H21N3O3S2 — CID 119612805

IUPACN-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESNCC(NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)C1CC1
InChIInChI=1S/C17H21N3O3S2/c18-10-16(12-6-7-12)20-17(21)13-3-1-5-15(9-13)25(22,23)19-11-14-4-2-8-24-14/h1-5,8-9,12,16,19H,6-7,10-11,18H2,(H,20,21)
InChIKeyCYUQBPHKJDEPTJ-UHFFFAOYSA-N
MW379.51 g/mol
LogP1.69
Rot. Bonds8

About N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide

N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide (PubChem CID 119612805) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
PubChem CID119612805
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESNCC(NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)C1CC1
InChIInChI=1S/C17H21N3O3S2/c18-10-16(12-6-7-12)20-17(21)13-3-1-5-15(9-13)25(22,23)19-11-14-4-2-8-24-14/h1-5,8-9,12,16,19H,6-7,10-11,18H2,(H,20,21)
InChIKeyCYUQBPHKJDEPTJ-UHFFFAOYSA-N
XLogP1.69
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119585485
N-(2-amino-1-cyclohexylethyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119591529
N-[2-(aminomethyl)cyclopentyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119600604
N-(2-amino-1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 119615604
N-[2-(methylamino)propyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120829635
N-(2-amino-1-cyclopropylethyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 119612678
N-(2-amino-1-cyclopropylethyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide;hydrochloride
CID 119612677
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971
N-(3-cyclopentyloxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 38407060
N-benzyl-N-cyclopropyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 38253124
N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9427533
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 120946825

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide (CID 119612805) is N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide is NCC(NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The InChIKey is CYUQBPHKJDEPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c18-10-16(12-6-7-12)20-17(21)13-3-1-5-15(9-13)25(22,23)19-11-14-4-2-8-24-14/h1-5,8-9,12,16,19H,6-7,10-11,18H2,(H,20,21).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide has a molecular weight of 379.51 g/mol, XLogP of 1.69, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 119612805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).