N-(1-aminopropan-2-yl)-N-methyl-3-(thiophen-2-ylsulfonylamino)benzamide

C15H19N3O3S2 — CID 119583489

IUPACN-(1-aminopropan-2-yl)-N-methyl-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESCC(CN)N(C)C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C15H19N3O3S2/c1-11(10-16)18(2)15(19)12-5-3-6-13(9-12)17-23(20,21)14-7-4-8-22-14/h3-9,11,17H,10,16H2,1-2H3
InChIKeyGPGSZOJGNZGSEA-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.97
Rot. Bonds6

About N-(1-aminopropan-2-yl)-N-methyl-3-(thiophen-2-ylsulfonylamino)benzamide

N-(1-aminopropan-2-yl)-N-methyl-3-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 119583489) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-3-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-3-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID119583489
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESCC(CN)N(C)C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C15H19N3O3S2/c1-11(10-16)18(2)15(19)12-5-3-6-13(9-12)17-23(20,21)14-7-4-8-22-14/h3-9,11,17H,10,16H2,1-2H3
InChIKeyGPGSZOJGNZGSEA-UHFFFAOYSA-N
XLogP1.97
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119995200
N-benzyl-N-propan-2-yl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55909095
2-[propyl-[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetic acid
CID 119205119
N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 120826976
N-(1-aminohexan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119667025
N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78896710
N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786585
N-methyl-3-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 55787151
3-N-(1-aminopropan-2-yl)-3-N-methylbenzene-1,3-dicarboxamide
CID 119584009
N-(2-phenylbutyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46489998
N-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119432119
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55790239

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-(thiophen-2-ylsulfonylamino)benzamide (CID 119583489) is N-(1-aminopropan-2-yl)-N-methyl-3-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-3-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-3-(thiophen-2-ylsulfonylamino)benzamide is CC(CN)N(C)C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-3-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is GPGSZOJGNZGSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c1-11(10-16)18(2)15(19)12-5-3-6-13(9-12)17-23(20,21)14-7-4-8-22-14/h3-9,11,17H,10,16H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-3-(thiophen-2-ylsulfonylamino)benzamide?
N-(1-aminopropan-2-yl)-N-methyl-3-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 353.47 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-3-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 119583489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).