2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide

C30H30N2O5S — CID 43897777

IUPAC2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NC(c2ccccc2)c2cccc(C)c2)c2ccccc2OC)cc1
InChIInChI=1S/C30H30N2O5S/c1-22-10-9-13-24(20-22)30(23-11-5-4-6-12-23)31-29(33)21-32(27-14-7-8-15-28(27)37-3)38(34,35)26-18-16-25(36-2)17-19-26/h4-20,30H,21H2,1-3H3,(H,31,33)
InChIKeyVTXOEASPANMZMK-UHFFFAOYSA-N
MW530.65 g/mol
LogP5.11
Rot. Bonds10

About 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide

2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide (PubChem CID 43897777) has the molecular formula C30H30N2O5S and a molecular weight of 530.65 g/mol. Its IUPAC name is 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
PubChem CID43897777
Molecular FormulaC30H30N2O5S
Molecular Weight530.65 g/mol
Exact Mass530.19
IUPAC Name2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NC(c2ccccc2)c2cccc(C)c2)c2ccccc2OC)cc1
InChIInChI=1S/C30H30N2O5S/c1-22-10-9-13-24(20-22)30(23-11-5-4-6-12-23)31-29(33)21-32(27-14-7-8-15-28(27)37-3)38(34,35)26-18-16-25(36-2)17-19-26/h4-20,30H,21H2,1-3H3,(H,31,33)
InChIKeyVTXOEASPANMZMK-UHFFFAOYSA-N
XLogP5.11
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.65
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[(3-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-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43898808
2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43894244
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43897308
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 92682945
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43902149
N-[1-(3,4-dimethylphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 43897780
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 30397252
2-[N-(benzenesulfonyl)anilino]-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43891859
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43898881
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 125065161
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-methylacetamide
CID 1310802
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 99644439

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide (CID 43897777) is 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NC(c2ccccc2)c2cccc(C)c2)c2ccccc2OC)cc1.
What is the InChIKey of 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is VTXOEASPANMZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O5S/c1-22-10-9-13-24(20-22)30(23-11-5-4-6-12-23)31-29(33)21-32(27-14-7-8-15-28(27)37-3)38(34,35)26-18-16-25(36-2)17-19-26/h4-20,30H,21H2,1-3H3,(H,31,33).
What are the key properties of 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide?
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 530.65 g/mol, XLogP of 5.11, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 43897777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).