2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-methylphenyl)methyl]acetamide

C24H26N2O4S — CID 1324576

IUPAC2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-methylphenyl)methyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-18-8-10-21(11-9-18)26(31(28,29)23-14-12-22(30-3)13-15-23)17-24(27)25-16-20-7-5-4-6-19(20)2/h4-15H,16-17H2,1-3H3,(H,25,27)
InChIKeyAQQAAXKIOJTREQ-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.82
Rot. Bonds8

About 2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-methylphenyl)methyl]acetamide

2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 1324576) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-methylphenyl)methyl]acetamide
PubChem CID1324576
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-methylphenyl)methyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-18-8-10-21(11-9-18)26(31(28,29)23-14-12-22(30-3)13-15-23)17-24(27)25-16-20-7-5-4-6-19(20)2/h4-15H,16-17H2,1-3H3,(H,25,27)
InChIKeyAQQAAXKIOJTREQ-UHFFFAOYSA-N
XLogP3.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 2231836
N-[(2-fluorophenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 53280530
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 1118203
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 30263745
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(2-methylphenyl)methyl]acetamide
CID 1009965
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51344460
N-[(2-chlorophenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53279173
N-[(2-imidazol-1-ylphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 92679723
N-[(2-fluorophenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 53279394
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 1337255
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 51343966
2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-prop-2-enylacetamide
CID 2286489

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-methylphenyl)methyl]acetamide (CID 1324576) is 2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-methylphenyl)methyl]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is AQQAAXKIOJTREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-18-8-10-21(11-9-18)26(31(28,29)23-14-12-22(30-3)13-15-23)17-24(27)25-16-20-7-5-4-6-19(20)2/h4-15H,16-17H2,1-3H3,(H,25,27).
What are the key properties of 2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-methylphenyl)methyl]acetamide?
2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 438.55 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 1324576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).