N-(5-chloro-2-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide

C13H13ClN2O3S2 — CID 31973756

IUPACN-(5-chloro-2-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNS(=O)(=O)c1cccs1
InChIInChI=1S/C13H13ClN2O3S2/c1-9-4-5-10(14)7-11(9)16-12(17)8-15-21(18,19)13-3-2-6-20-13/h2-7,15H,8H2,1H3,(H,16,17)
InChIKeyTZOQVGKHDYRKCZ-UHFFFAOYSA-N
MW344.85 g/mol
LogP2.63
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide

N-(5-chloro-2-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide (PubChem CID 31973756) has the molecular formula C13H13ClN2O3S2 and a molecular weight of 344.85 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
PubChem CID31973756
Molecular FormulaC13H13ClN2O3S2
Molecular Weight344.85 g/mol
Exact Mass344.01
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNS(=O)(=O)c1cccs1
InChIInChI=1S/C13H13ClN2O3S2/c1-9-4-5-10(14)7-11(9)16-12(17)8-15-21(18,19)13-3-2-6-20-13/h2-7,15H,8H2,1H3,(H,16,17)
InChIKeyTZOQVGKHDYRKCZ-UHFFFAOYSA-N
XLogP2.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 3238020
[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 27456306
N-(5-chloro-2-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 2162492
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 55678440
N-(5-chloro-2-methylphenyl)-2-[(2,4-dimethylphenyl)sulfonylamino]acetamide
CID 112998040
N-[4-(diethylamino)-2-methylphenyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 15995651
N-[2-(4-chlorophenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 22422194
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 36749120
N-(2,5-dichlorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
CID 39793706
dimethyl 5-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzene-1,3-dicarboxylate
CID 55676636
N-(4-chlorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 4614958

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide (CID 31973756) is N-(5-chloro-2-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide is Cc1ccc(Cl)cc1NC(=O)CNS(=O)(=O)c1cccs1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide?
The InChIKey is TZOQVGKHDYRKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S2/c1-9-4-5-10(14)7-11(9)16-12(17)8-15-21(18,19)13-3-2-6-20-13/h2-7,15H,8H2,1H3,(H,16,17).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide?
N-(5-chloro-2-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide has a molecular weight of 344.85 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide is sourced from PubChem (CID 31973756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).