4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzamide

C27H32N2O3S — CID 125077384

IUPAC4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
SMILESCc1cccc(N(Cc2ccc(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C27H32N2O3S/c1-18-8-7-9-25(14-18)29(33(6,31)32)17-23-10-12-24(13-11-23)27(30)28-22(5)26-16-20(3)19(2)15-21(26)4/h7-16,22H,17H2,1-6H3,(H,28,30)/t22-/m1/s1
InChIKeyAVECAAQTRATNQS-JOCHJYFZSA-N
MW464.63 g/mol
LogP5.38
Rot. Bonds7

About 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzamide

4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzamide (PubChem CID 125077384) has the molecular formula C27H32N2O3S and a molecular weight of 464.63 g/mol. Its IUPAC name is 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
PubChem CID125077384
Molecular FormulaC27H32N2O3S
Molecular Weight464.63 g/mol
Exact Mass464.21
IUPAC Name4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
SMILESCc1cccc(N(Cc2ccc(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C27H32N2O3S/c1-18-8-7-9-25(14-18)29(33(6,31)32)17-23-10-12-24(13-11-23)27(30)28-22(5)26-16-20(3)19(2)15-21(26)4/h7-16,22H,17H2,1-6H3,(H,28,30)/t22-/m1/s1
InChIKeyAVECAAQTRATNQS-JOCHJYFZSA-N
XLogP5.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.63
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzamide 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

N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide
CID 133186484
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 133220319
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 53280500
4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 133217977
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(1-phenylethyl)benzamide
CID 2884769
4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 133217975
4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 28635270
4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133217462
4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide
CID 41493280
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 133210617
4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 94018481
N-[1-(2,4-dimethylphenyl)ethyl]-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide
CID 53287290

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzamide?
The IUPAC name of 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzamide (CID 125077384) is 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzamide?
The canonical SMILES for 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzamide is Cc1cccc(N(Cc2ccc(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)cc2)S(C)(=O)=O)c1.
What is the InChIKey of 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzamide?
The InChIKey is AVECAAQTRATNQS-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H32N2O3S/c1-18-8-7-9-25(14-18)29(33(6,31)32)17-23-10-12-24(13-11-23)27(30)28-22(5)26-16-20(3)19(2)15-21(26)4/h7-16,22H,17H2,1-6H3,(H,28,30)/t22-/m1/s1.
What are the key properties of 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzamide?
4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzamide has a molecular weight of 464.63 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzamide is sourced from PubChem (CID 125077384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).