N-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide

C25H28N2O3S — CID 132670931

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)c3ccc(C)c(C)c3)cc2C)cc1
InChIInChI=1S/C25H28N2O3S/c1-16-6-11-23(12-7-16)31(29,30)27-24-13-10-22(15-19(24)4)25(28)26-20(5)21-9-8-17(2)18(3)14-21/h6-15,20,27H,1-5H3,(H,26,28)
InChIKeyFBCGVAGLHMIGMD-UHFFFAOYSA-N
MW436.58 g/mol
LogP5.21
Rot. Bonds6

About N-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide

N-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 132670931) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID132670931
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)c3ccc(C)c(C)c3)cc2C)cc1
InChIInChI=1S/C25H28N2O3S/c1-16-6-11-23(12-7-16)31(29,30)27-24-13-10-22(15-19(24)4)25(28)26-20(5)21-9-8-17(2)18(3)14-21/h6-15,20,27H,1-5H3,(H,26,28)
InChIKeyFBCGVAGLHMIGMD-UHFFFAOYSA-N
XLogP5.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]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

4-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 132671525
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 94016012
N-[1-(2,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46770080
3-(benzenesulfonamido)-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 99955648
3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 94195982
4-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylbenzamide
CID 46764267
3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 30379464
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 133186498
N,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 41465640
4-(benzenesulfonamido)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbenzamide
CID 133188885
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 132616821
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 93487088

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide (CID 132670931) is N-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)c3ccc(C)c(C)c3)cc2C)cc1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is FBCGVAGLHMIGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-16-6-11-23(12-7-16)31(29,30)27-24-13-10-22(15-19(24)4)25(28)26-20(5)21-9-8-17(2)18(3)14-21/h6-15,20,27H,1-5H3,(H,26,28).
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide?
N-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 436.58 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 132670931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).