N-[(4-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)acetamide

C23H24N2O3S — CID 43886460

IUPACN-[(4-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)acetamide
SMILESCc1ccc(C(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-18-13-15-20(16-14-18)23(19-9-5-3-6-10-19)24-22(26)17-25(29(2,27)28)21-11-7-4-8-12-21/h3-16,23H,17H2,1-2H3,(H,24,26)
InChIKeyQMACJUBIWRVGNG-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.67
Rot. Bonds7

About N-[(4-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)acetamide

N-[(4-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)acetamide (PubChem CID 43886460) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[(4-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)acetamide
PubChem CID43886460
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-[(4-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)acetamide
SMILESCc1ccc(C(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-18-13-15-20(16-14-18)23(19-9-5-3-6-10-19)24-22(26)17-25(29(2,27)28)21-11-7-4-8-12-21/h3-16,23H,17H2,1-2H3,(H,24,26)
InChIKeyQMACJUBIWRVGNG-UHFFFAOYSA-N
XLogP3.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)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-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 28633983
N-[(R)-(4-methylphenyl)-phenylmethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305747
2-[N-(benzenesulfonyl)anilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30303573
N-benzhydryl-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 44777661
N-[(4-methylphenyl)-phenylmethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 43900604
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30384478
4-[[2-(benzhydrylamino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30276600
2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 40633950
2-[benzyl(methylsulfonyl)amino]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 133200073
N-benzhydryl-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30276609
N-[(R)-(2-methylphenyl)-phenylmethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305741
N-benzhydryl-4-(N-methylsulfonylanilino)butanamide
CID 9173073

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(4-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)acetamide (CID 43886460) is N-[(4-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(4-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(4-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)acetamide is Cc1ccc(C(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)acetamide?
The InChIKey is QMACJUBIWRVGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-18-13-15-20(16-14-18)23(19-9-5-3-6-10-19)24-22(26)17-25(29(2,27)28)21-11-7-4-8-12-21/h3-16,23H,17H2,1-2H3,(H,24,26).
What are the key properties of N-[(4-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)acetamide?
N-[(4-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)acetamide has a molecular weight of 408.52 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 43886460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).