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

C24H26N2O5S — CID 1324421

IUPACN-[(2-methoxyphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2OC)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-18-8-10-20(11-9-18)26(32(28,29)22-14-12-21(30-2)13-15-22)17-24(27)25-16-19-6-4-5-7-23(19)31-3/h4-15H,16-17H2,1-3H3,(H,25,27)
InChIKeyZAGHYGMOKMJCDA-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.52
Rot. Bonds9

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

N-[(2-methoxyphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide (PubChem CID 1324421) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
PubChem CID1324421
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2OC)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-18-8-10-20(11-9-18)26(32(28,29)22-14-12-21(30-2)13-15-22)17-24(27)25-16-19-6-4-5-7-23(19)31-3/h4-15H,16-17H2,1-3H3,(H,25,27)
InChIKeyZAGHYGMOKMJCDA-UHFFFAOYSA-N
XLogP3.52
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Act-462206
CID 40924317
N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(4-nitro-benzyl)-amino]-acetamide
CID 10500886
Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide
CID 141759425
1-Acetyl-4-(4-methoxy-benzenesulfonyl)-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine-3-carboxylic acid hydroxyamide
CID 9802180
N-(4-(Diethylamino)benzyl)-4-methoxy-N-(p-tolyl)benzenesulfonamide
CID 71584280
N-[(5S)-6-hydroxy-5-[isobutyl(p-tolylsulfonyl)amino]hexyl]-2-[N-[(4-methoxyphenyl)methyl]anilino]acetamide
CID 508697
N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(4-nitro-benzyl)-amino]-propionamide
CID 23645536
2-[(2-methoxyphenyl)methyl-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide;oxalic acid
CID 16248150
2-(N-Benzyl4-methoxybenzenesulfonamido)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1119952
N-(3,4-Dimethylphenyl)-2-[N-(2-phenylethyl)3,4-dimethoxybenzenesulfonamido]acetamide
CID 1208429
N-[(4-Methylphenyl)methyl]-2-[N-(2-phenylethyl)4-methoxybenzenesulfonamido]acetamide
CID 1359124
N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1359892

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide (CID 1324421) is N-[(2-methoxyphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2OC)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide?
The InChIKey is ZAGHYGMOKMJCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-18-8-10-20(11-9-18)26(32(28,29)22-14-12-21(30-2)13-15-22)17-24(27)25-16-19-6-4-5-7-23(19)31-3/h4-15H,16-17H2,1-3H3,(H,25,27).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide?
N-[(2-methoxyphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide has a molecular weight of 454.55 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide is sourced from PubChem (CID 1324421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).