N-(2,4-dichlorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

C22H20Cl2N2O3S — CID 1248751

IUPACN-(2,4-dichlorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2Cl)c2ccccc2C)cc1
InChIInChI=1S/C22H20Cl2N2O3S/c1-15-7-10-18(11-8-15)30(28,29)26(21-6-4-3-5-16(21)2)14-22(27)25-20-12-9-17(23)13-19(20)24/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyLCPQAGCXJQLBDM-UHFFFAOYSA-N
MW463.39 g/mol
LogP5.44
Rot. Bonds6

About N-(2,4-dichlorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

N-(2,4-dichlorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 1248751) has the molecular formula C22H20Cl2N2O3S and a molecular weight of 463.39 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID1248751
Molecular FormulaC22H20Cl2N2O3S
Molecular Weight463.39 g/mol
Exact Mass462.06
IUPAC NameN-(2,4-dichlorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2Cl)c2ccccc2C)cc1
InChIInChI=1S/C22H20Cl2N2O3S/c1-15-7-10-18(11-8-15)30(28,29)26(21-6-4-3-5-16(21)2)14-22(27)25-20-12-9-17(23)13-19(20)24/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyLCPQAGCXJQLBDM-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

2-(4-chloroanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164614642
N-benzyl-2-[2-chloro(phenylsulfonyl)anilino]acetamide
CID 1203977
N-(3-Chlorophenyl)-2-{N-[3-(trifluoromethyl)phenyl]benzenesulfonamido}acetamide
CID 1247140
2-[(2,4-dichlorophenyl)(phenylsulfonyl)amino]-N-(phenylethyl)acetamide
CID 2851193
N-(3-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)phenylsulfonamido)acetamide
CID 1153925
2-{(2-ethylphenyl)[(4-methylphenyl)sulfonyl]amino}-N-benzylacetamide
CID 1000070
N-(4-Chloro-3-nitro-phenyl)-2-[cyclohexyl-(toluene-4-sulfonyl)-amino]-acetamide
CID 1117367
N-(2-Methylpropyl)-2-[N-(2-phenylethyl)4-methylbenzenesulfonamido]acetamide
CID 1141990
N-[2-Chloro-4-(toluene-4-sulfonylamino)-phenyl]-2-piperidin-1-yl-acetamide
CID 1147316
N-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide
CID 1162872
2-[N-(3-Chlorophenyl)4-methylbenzenesulfonamido]-N-(2,6-dimethylphenyl)acetamide
CID 1247158
N-(4-chlorobenzyl)-N~2~-(2-ethylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 1283333

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 1248751) is N-(2,4-dichlorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2Cl)c2ccccc2C)cc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is LCPQAGCXJQLBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3S/c1-15-7-10-18(11-8-15)30(28,29)26(21-6-4-3-5-16(21)2)14-22(27)25-20-12-9-17(23)13-19(20)24/h3-13H,14H2,1-2H3,(H,25,27).
What are the key properties of N-(2,4-dichlorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-(2,4-dichlorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)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-(2,4-dichlorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 1248751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).