N-[(2,4-dimethylphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide

C20H20N2O3S2 — CID 55830367

IUPACN-[(2,4-dimethylphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESCc1ccc(CNC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)c(C)c1
InChIInChI=1S/C20H20N2O3S2/c1-14-8-9-17(15(2)11-14)13-21-20(23)16-5-3-6-18(12-16)22-27(24,25)19-7-4-10-26-19/h3-12,22H,13H2,1-2H3,(H,21,23)
InChIKeyLGPNAYQJHKXEBK-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.10
Rot. Bonds6

About N-[(2,4-dimethylphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide

N-[(2,4-dimethylphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 55830367) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID55830367
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESCc1ccc(CNC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)c(C)c1
InChIInChI=1S/C20H20N2O3S2/c1-14-8-9-17(15(2)11-14)13-21-20(23)16-5-3-6-18(12-16)22-27(24,25)19-7-4-10-26-19/h3-12,22H,13H2,1-2H3,(H,21,23)
InChIKeyLGPNAYQJHKXEBK-UHFFFAOYSA-N
XLogP4.10
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786642
N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786585
N-(2-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55914376
N-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119432119
N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 120826976
N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786528
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-[(1-phenylcyclopropyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46492831
N-[(2,4-dimethylphenyl)methyl]-3-(methylsulfonylmethyl)benzamide
CID 52571231
N-[2-(3-fluorophenyl)ethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55788608

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide (CID 55830367) is N-[(2,4-dimethylphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide is Cc1ccc(CNC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is LGPNAYQJHKXEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S2/c1-14-8-9-17(15(2)11-14)13-21-20(23)16-5-3-6-18(12-16)22-27(24,25)19-7-4-10-26-19/h3-12,22H,13H2,1-2H3,(H,21,23).
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
N-[(2,4-dimethylphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 400.53 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 55830367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).