N-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide

C24H26N2O4S — CID 2958511

IUPACN-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-3-30-22-13-15-23(16-14-22)31(28,29)26(21-11-9-19(2)10-12-21)18-24(27)25-17-20-7-5-4-6-8-20/h4-16H,3,17-18H2,1-2H3,(H,25,27)
InChIKeyRBTFQJDDPJNFCY-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.91
Rot. Bonds9

About N-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide

N-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide (PubChem CID 2958511) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
PubChem CID2958511
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-3-30-22-13-15-23(16-14-22)31(28,29)26(21-11-9-19(2)10-12-21)18-24(27)25-17-20-7-5-4-6-8-20/h4-16H,3,17-18H2,1-2H3,(H,25,27)
InChIKeyRBTFQJDDPJNFCY-UHFFFAOYSA-N
XLogP3.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 6620763
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 30306762
N-benzyl-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 1050013
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 5020790
N-[(4-chlorophenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 1311358
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3-ethoxyphenyl)methyl]acetamide
CID 30304403
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 43894339
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767062
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(furan-2-ylmethyl)acetamide
CID 1108097
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
CID 30227920
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133229072
2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-benzylacetamide
CID 17433674

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide?
The IUPAC name of N-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide (CID 2958511) is N-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide.
What is the SMILES notation for N-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide?
The canonical SMILES for N-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide?
The InChIKey is RBTFQJDDPJNFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-3-30-22-13-15-23(16-14-22)31(28,29)26(21-11-9-19(2)10-12-21)18-24(27)25-17-20-7-5-4-6-8-20/h4-16H,3,17-18H2,1-2H3,(H,25,27).
What are the key properties of N-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide?
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide has a molecular weight of 438.55 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide is sourced from PubChem (CID 2958511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).