N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfonylacetamide

C17H18ClNO4S — CID 4235216

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfonylacetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H18ClNO4S/c1-11-4-6-13(7-5-11)24(21,22)10-17(20)19-15-8-12(2)14(18)9-16(15)23-3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyDALUWIOWRIJOOO-UHFFFAOYSA-N
MW367.85 g/mol
LogP3.38
Rot. Bonds5

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfonylacetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfonylacetamide (PubChem CID 4235216) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfonylacetamide
PubChem CID4235216
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfonylacetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H18ClNO4S/c1-11-4-6-13(7-5-11)24(21,22)10-17(20)19-15-8-12(2)14(18)9-16(15)23-3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyDALUWIOWRIJOOO-UHFFFAOYSA-N
XLogP3.38
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide
CID 50784526
2-(4-chlorophenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 25392753
N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)sulfonylacetamide
CID 27449091
N-(4-chloro-2,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 2202394
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)sulfonylacetamide
CID 2966880
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
3-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-sulfanylidenepropanamide
CID 28942379
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955473
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide
CID 9270924
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672
methyl 2-[[2-(benzenesulfonyl)acetyl]amino]-4-chloro-5-methylbenzoate
CID 123750606

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfonylacetamide (CID 4235216) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfonylacetamide is COc1cc(Cl)c(C)cc1NC(=O)CS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfonylacetamide?
The InChIKey is DALUWIOWRIJOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c1-11-4-6-13(7-5-11)24(21,22)10-17(20)19-15-8-12(2)14(18)9-16(15)23-3/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfonylacetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfonylacetamide has a molecular weight of 367.85 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 4235216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).