2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C26H28N2O3S — CID 92679322

IUPAC2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1cc(C)cc(N(CC(=O)N[C@H]2CCCc3ccccc32)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C26H28N2O3S/c1-19-15-20(2)17-22(16-19)28(32(30,31)23-11-4-3-5-12-23)18-26(29)27-25-14-8-10-21-9-6-7-13-24(21)25/h3-7,9,11-13,15-17,25H,8,10,14,18H2,1-2H3,(H,27,29)/t25-/m0/s1
InChIKeyLXNKPHZTRXNAQM-VWLOTQADSA-N
MW448.59 g/mol
LogP4.69
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 92679322) has the molecular formula C26H28N2O3S and a molecular weight of 448.59 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID92679322
Molecular FormulaC26H28N2O3S
Molecular Weight448.59 g/mol
Exact Mass448.18
IUPAC Name2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1cc(C)cc(N(CC(=O)N[C@H]2CCCc3ccccc32)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C26H28N2O3S/c1-19-15-20(2)17-22(16-19)28(32(30,31)23-11-4-3-5-12-23)18-26(29)27-25-14-8-10-21-9-6-7-13-24(21)25/h3-7,9,11-13,15-17,25H,8,10,14,18H2,1-2H3,(H,27,29)/t25-/m0/s1
InChIKeyLXNKPHZTRXNAQM-VWLOTQADSA-N
XLogP4.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]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-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30211446
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28631472
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 26565871
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30229779
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43894689
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30212045
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43894980
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92683840
2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30213437
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclopentylacetamide
CID 51345206
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30203302
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28569029

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 92679322) is 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is Cc1cc(C)cc(N(CC(=O)N[C@H]2CCCc3ccccc32)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is LXNKPHZTRXNAQM-VWLOTQADSA-N. The full InChI is InChI=1S/C26H28N2O3S/c1-19-15-20(2)17-22(16-19)28(32(30,31)23-11-4-3-5-12-23)18-26(29)27-25-14-8-10-21-9-6-7-13-24(21)25/h3-7,9,11-13,15-17,25H,8,10,14,18H2,1-2H3,(H,27,29)/t25-/m0/s1.
What are the key properties of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 448.59 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 92679322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).