2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide

C32H34N2O7S — CID 99644439

IUPAC2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C32H34N2O7S/c1-22-11-9-10-14-26(22)32(23-12-7-6-8-13-23)33-31(35)21-34(27-19-24(38-2)15-17-28(27)39-3)42(36,37)25-16-18-29(40-4)30(20-25)41-5/h6-20,32H,21H2,1-5H3,(H,33,35)/t32-/m1/s1
InChIKeyHVGNYVQTQOWYJX-JGCGQSQUSA-N
MW590.70 g/mol
LogP5.13
Rot. Bonds12

About 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide

2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide (PubChem CID 99644439) has the molecular formula C32H34N2O7S and a molecular weight of 590.70 g/mol. Its IUPAC name is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
PubChem CID99644439
Molecular FormulaC32H34N2O7S
Molecular Weight590.70 g/mol
Exact Mass590.21
IUPAC Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C32H34N2O7S/c1-22-11-9-10-14-26(22)32(23-12-7-6-8-13-23)33-31(35)21-34(27-19-24(38-2)15-17-28(27)39-3)42(36,37)25-16-18-29(40-4)30(20-25)41-5/h6-20,32H,21H2,1-5H3,(H,33,35)/t32-/m1/s1
InChIKeyHVGNYVQTQOWYJX-JGCGQSQUSA-N
XLogP5.13
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.70
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(1S)-1-phenylpropyl]acetamide
CID 92671566
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43904268
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 92678174
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94862246
2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43900572
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(1-phenylethyl)acetamide
CID 2889683
N-benzhydryl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 43900869
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 99130704
2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 30306626
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43897777
N-(3-chloro-4-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
CID 126188033
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43886580

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide (CID 99644439) is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide is COc1ccc(OC)c(N(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is HVGNYVQTQOWYJX-JGCGQSQUSA-N. The full InChI is InChI=1S/C32H34N2O7S/c1-22-11-9-10-14-26(22)32(23-12-7-6-8-13-23)33-31(35)21-34(27-19-24(38-2)15-17-28(27)39-3)42(36,37)25-16-18-29(40-4)30(20-25)41-5/h6-20,32H,21H2,1-5H3,(H,33,35)/t32-/m1/s1.
What are the key properties of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 590.70 g/mol, XLogP of 5.13, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 99644439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).