N-(3,4-difluorophenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide

C22H20F2N2O4S — CID 53279263

IUPACN-(3,4-difluorophenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H20F2N2O4S/c1-15-3-6-17(7-4-15)26(31(28,29)19-10-8-18(30-2)9-11-19)14-22(27)25-16-5-12-20(23)21(24)13-16/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyOSAHNRKSDUCMRN-UHFFFAOYSA-N
MW446.48 g/mol
LogP4.12
Rot. Bonds7

About N-(3,4-difluorophenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide

N-(3,4-difluorophenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide (PubChem CID 53279263) has the molecular formula C22H20F2N2O4S and a molecular weight of 446.48 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
PubChem CID53279263
Molecular FormulaC22H20F2N2O4S
Molecular Weight446.48 g/mol
Exact Mass446.11
IUPAC NameN-(3,4-difluorophenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H20F2N2O4S/c1-15-3-6-17(7-4-15)26(31(28,29)19-10-8-18(30-2)9-11-19)14-22(27)25-16-5-12-20(23)21(24)13-16/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyOSAHNRKSDUCMRN-UHFFFAOYSA-N
XLogP4.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 53279104
N-(4-fluorophenyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2279426
methyl 2-chloro-5-[[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate
CID 21372677
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 30171501
4-[[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 24607001
N-(2,5-dichlorophenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2206870
2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3,4-dimethylphenyl)acetamide
CID 1204001
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide
CID 1361908
N-(4-chlorophenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345333
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 3885413
N-(3-chlorophenyl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126387654
N-(4-butylphenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 126270925

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide (CID 53279263) is N-(3,4-difluorophenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide?
The InChIKey is OSAHNRKSDUCMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O4S/c1-15-3-6-17(7-4-15)26(31(28,29)19-10-8-18(30-2)9-11-19)14-22(27)25-16-5-12-20(23)21(24)13-16/h3-13H,14H2,1-2H3,(H,25,27).
What are the key properties of N-(3,4-difluorophenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide?
N-(3,4-difluorophenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide has a molecular weight of 446.48 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide is sourced from PubChem (CID 53279263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).