N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide

C15H19N3O3S2 — CID 120826976

IUPACN-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESCNC(C)CNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C15H19N3O3S2/c1-11(16-2)10-17-15(19)12-5-3-6-13(9-12)18-23(20,21)14-7-4-8-22-14/h3-9,11,16,18H,10H2,1-2H3,(H,17,19)
InChIKeyPZERHFNHFMPZGE-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.89
Rot. Bonds7

About N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide

N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 120826976) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID120826976
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC NameN-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESCNC(C)CNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C15H19N3O3S2/c1-11(16-2)10-17-15(19)12-5-3-6-13(9-12)18-23(20,21)14-7-4-8-22-14/h3-9,11,16,18H,10H2,1-2H3,(H,17,19)
InChIKeyPZERHFNHFMPZGE-UHFFFAOYSA-N
XLogP1.89
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119995200
N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78896710
N-(2-phenylbutyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46489998
N-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119432119
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78897097
N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786585
N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 60510665
N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786642
N-[(2,4-dimethylphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55830367
N-(1-aminopropan-2-yl)-N-methyl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 119583489
N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786528
N-[(1-phenylcyclopropyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46492831

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide (CID 120826976) is N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide is CNC(C)CNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is PZERHFNHFMPZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c1-11(16-2)10-17-15(19)12-5-3-6-13(9-12)18-23(20,21)14-7-4-8-22-14/h3-9,11,16,18H,10H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 353.47 g/mol, XLogP of 1.89, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 120826976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).