2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(2-methylphenyl)-phenylmethyl]acetamide

C31H29F3N2O5S — CID 43900572

IUPAC2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(2-methylphenyl)-phenylmethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2C)c2cccc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C31H29F3N2O5S/c1-21-10-7-8-15-26(21)30(22-11-5-4-6-12-22)35-29(37)20-36(24-14-9-13-23(18-24)31(32,33)34)42(38,39)25-16-17-27(40-2)28(19-25)41-3/h4-19,30H,20H2,1-3H3,(H,35,37)
InChIKeyMOTYTJTULUEURY-UHFFFAOYSA-N
MW598.64 g/mol
LogP6.13
Rot. Bonds10

About 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(2-methylphenyl)-phenylmethyl]acetamide

2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(2-methylphenyl)-phenylmethyl]acetamide (PubChem CID 43900572) has the molecular formula C31H29F3N2O5S and a molecular weight of 598.64 g/mol. Its IUPAC name is 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(2-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(2-methylphenyl)-phenylmethyl]acetamide
PubChem CID43900572
Molecular FormulaC31H29F3N2O5S
Molecular Weight598.64 g/mol
Exact Mass598.17
IUPAC Name2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(2-methylphenyl)-phenylmethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2C)c2cccc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C31H29F3N2O5S/c1-21-10-7-8-15-26(21)30(22-11-5-4-6-12-22)35-29(37)20-36(24-14-9-13-23(18-24)31(32,33)34)42(38,39)25-16-17-27(40-2)28(19-25)41-3/h4-19,30H,20H2,1-3H3,(H,35,37)
InChIKeyMOTYTJTULUEURY-UHFFFAOYSA-N
XLogP6.13
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.64
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(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-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 94862279
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43904268
2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43900412
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 99644439
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 92678174
N-benzhydryl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30276576
2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 30306626
2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 43899593
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133228876
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 28632472
2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide
CID 30256407
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 30303863

Frequently Asked Questions

What is the IUPAC name of 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(2-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(2-methylphenyl)-phenylmethyl]acetamide (CID 43900572) is 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(2-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(2-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(2-methylphenyl)-phenylmethyl]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2C)c2cccc(C(F)(F)F)c2)cc1OC.
What is the InChIKey of 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(2-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is MOTYTJTULUEURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F3N2O5S/c1-21-10-7-8-15-26(21)30(22-11-5-4-6-12-22)35-29(37)20-36(24-14-9-13-23(18-24)31(32,33)34)42(38,39)25-16-17-27(40-2)28(19-25)41-3/h4-19,30H,20H2,1-3H3,(H,35,37).
What are the key properties of 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(2-methylphenyl)-phenylmethyl]acetamide?
2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(2-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 598.64 g/mol, XLogP of 6.13, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(2-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 43900572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).