2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(3-cyanophenyl)acetamide

C24H22ClN3O4S — CID 100797080

IUPAC2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(3-cyanophenyl)acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc(C#N)c1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C24H22ClN3O4S/c1-16-7-10-22(32-3)23(11-16)33(30,31)28(20-9-8-17(2)21(25)13-20)15-24(29)27-19-6-4-5-18(12-19)14-26/h4-13H,15H2,1-3H3,(H,27,29)
InChIKeyRRPFFCWPHBNVIX-UHFFFAOYSA-N
MW483.98 g/mol
LogP4.67
Rot. Bonds7

About 2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(3-cyanophenyl)acetamide

2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(3-cyanophenyl)acetamide (PubChem CID 100797080) has the molecular formula C24H22ClN3O4S and a molecular weight of 483.98 g/mol. Its IUPAC name is 2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(3-cyanophenyl)acetamide
PubChem CID100797080
Molecular FormulaC24H22ClN3O4S
Molecular Weight483.98 g/mol
Exact Mass483.10
IUPAC Name2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(3-cyanophenyl)acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc(C#N)c1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C24H22ClN3O4S/c1-16-7-10-22(32-3)23(11-16)33(30,31)28(20-9-8-17(2)21(25)13-20)15-24(29)27-19-6-4-5-18(12-19)14-26/h4-13H,15H2,1-3H3,(H,27,29)
InChIKeyRRPFFCWPHBNVIX-UHFFFAOYSA-N
XLogP4.67
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.98
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-(4-methylphenyl)acetamide
CID 126391900
2-(3,4-dichloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 3668797
N-(2,6-dichlorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126394431
N-(3-chloro-4-methoxyphenyl)-2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1339298
2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100799089
N-(4-bromophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide
CID 126394469
2-(N-acetyl-3-chloro-4-methylanilino)-N-(3-cyanophenyl)acetamide
CID 113172320
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-methylphenyl)acetamide
CID 126393780
N-(3-chloro-4-methylphenyl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 45372313
N-(3-acetylphenyl)-2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 2238416
2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 94861524
N-(4-acetamidophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126393004

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(3-cyanophenyl)acetamide (CID 100797080) is 2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(3-cyanophenyl)acetamide is COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc(C#N)c1)c1ccc(C)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(3-cyanophenyl)acetamide?
The InChIKey is RRPFFCWPHBNVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O4S/c1-16-7-10-22(32-3)23(11-16)33(30,31)28(20-9-8-17(2)21(25)13-20)15-24(29)27-19-6-4-5-18(12-19)14-26/h4-13H,15H2,1-3H3,(H,27,29).
What are the key properties of 2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(3-cyanophenyl)acetamide?
2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(3-cyanophenyl)acetamide has a molecular weight of 483.98 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 100797080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).