N-(5-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide

C22H20Cl2N2O3S — CID 3910967

IUPACN-(5-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide
SMILESCc1ccc(N(CC(=O)Nc2cc(Cl)ccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20Cl2N2O3S/c1-15-3-9-19(10-4-15)26(30(28,29)20-11-7-17(23)8-12-20)14-22(27)25-21-13-18(24)6-5-16(21)2/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyXGBXXKLADQHIIP-UHFFFAOYSA-N
MW463.39 g/mol
LogP5.44
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide

N-(5-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide (PubChem CID 3910967) has the molecular formula C22H20Cl2N2O3S and a molecular weight of 463.39 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide
PubChem CID3910967
Molecular FormulaC22H20Cl2N2O3S
Molecular Weight463.39 g/mol
Exact Mass462.06
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide
SMILESCc1ccc(N(CC(=O)Nc2cc(Cl)ccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20Cl2N2O3S/c1-15-3-9-19(10-4-15)26(30(28,29)20-11-7-17(23)8-12-20)14-22(27)25-21-13-18(24)6-5-16(21)2/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyXGBXXKLADQHIIP-UHFFFAOYSA-N
XLogP5.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.39
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1337126
methyl 3-[[2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetyl]amino]-4-methylbenzoate
CID 126414847
N-(5-chloro-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1248067
N-(5-chloro-2-methoxyphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 22193652
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 126386851
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 30171177
N-(4-chlorophenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345333
2-[N-(benzenesulfonyl)-4-methylanilino]-N-(2,5-dichlorophenyl)acetamide
CID 126338098
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51343222
N-(5-chloro-2-methylphenyl)-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1335769
N-(2,5-dichlorophenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2206870
N-(5-chloro-2-methylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126395247

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide (CID 3910967) is N-(5-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide is Cc1ccc(N(CC(=O)Nc2cc(Cl)ccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide?
The InChIKey is XGBXXKLADQHIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3S/c1-15-3-9-19(10-4-15)26(30(28,29)20-11-7-17(23)8-12-20)14-22(27)25-21-13-18(24)6-5-16(21)2/h3-13H,14H2,1-2H3,(H,25,27).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide?
N-(5-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide has a molecular weight of 463.39 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide is sourced from PubChem (CID 3910967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).