(2R)-N-(2,5-dimethylphenyl)-2-naphthalen-2-ylsulfanyl-2-phenylacetamide

C26H23NOS — CID 7402711

IUPAC(2R)-N-(2,5-dimethylphenyl)-2-naphthalen-2-ylsulfanyl-2-phenylacetamide
SMILESCc1ccc(C)c(NC(=O)[C@H](Sc2ccc3ccccc3c2)c2ccccc2)c1
InChIInChI=1S/C26H23NOS/c1-18-12-13-19(2)24(16-18)27-26(28)25(21-9-4-3-5-10-21)29-23-15-14-20-8-6-7-11-22(20)17-23/h3-17,25H,1-2H3,(H,27,28)/t25-/m1/s1
InChIKeyURUOYCBMSAGIQB-RUZDIDTESA-N
MW397.54 g/mol
LogP6.93
Rot. Bonds5

About (2R)-N-(2,5-dimethylphenyl)-2-naphthalen-2-ylsulfanyl-2-phenylacetamide

(2R)-N-(2,5-dimethylphenyl)-2-naphthalen-2-ylsulfanyl-2-phenylacetamide (PubChem CID 7402711) has the molecular formula C26H23NOS and a molecular weight of 397.54 g/mol. Its IUPAC name is (2R)-N-(2,5-dimethylphenyl)-2-naphthalen-2-ylsulfanyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dimethylphenyl)-2-naphthalen-2-ylsulfanyl-2-phenylacetamide
PubChem CID7402711
Molecular FormulaC26H23NOS
Molecular Weight397.54 g/mol
Exact Mass397.15
IUPAC Name(2R)-N-(2,5-dimethylphenyl)-2-naphthalen-2-ylsulfanyl-2-phenylacetamide
SMILESCc1ccc(C)c(NC(=O)[C@H](Sc2ccc3ccccc3c2)c2ccccc2)c1
InChIInChI=1S/C26H23NOS/c1-18-12-13-19(2)24(16-18)27-26(28)25(21-9-4-3-5-10-21)29-23-15-14-20-8-6-7-11-22(20)17-23/h3-17,25H,1-2H3,(H,27,28)/t25-/m1/s1
InChIKeyURUOYCBMSAGIQB-RUZDIDTESA-N
XLogP6.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.54
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-N-(2,5-dimethylphenyl)-2-naphthalen-2-ylsulfanyl-2-phenylacetamide 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-(2,5-dimethylphenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide
CID 18905774
N-[3-[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-methoxybenzamide
CID 18903470
3-chloro-N-[3-[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18904910
2-(4-acetamidophenyl)sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide
CID 19631343
N-(2-hydroxy-4-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 16573615
N-(2,4-dimethylphenyl)-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712544
(2S)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 7491383
N-(2,5-dimethylphenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 42983284
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide
CID 21168898
2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide
CID 19316789
(2R)-N-(2,5-dimethylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide
CID 41195598
N-[(Z)-3-[4-[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22190134

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-naphthalen-2-ylsulfanyl-2-phenylacetamide?
The IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-naphthalen-2-ylsulfanyl-2-phenylacetamide (CID 7402711) is (2R)-N-(2,5-dimethylphenyl)-2-naphthalen-2-ylsulfanyl-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(2,5-dimethylphenyl)-2-naphthalen-2-ylsulfanyl-2-phenylacetamide?
The canonical SMILES for (2R)-N-(2,5-dimethylphenyl)-2-naphthalen-2-ylsulfanyl-2-phenylacetamide is Cc1ccc(C)c(NC(=O)[C@H](Sc2ccc3ccccc3c2)c2ccccc2)c1.
What is the InChIKey of (2R)-N-(2,5-dimethylphenyl)-2-naphthalen-2-ylsulfanyl-2-phenylacetamide?
The InChIKey is URUOYCBMSAGIQB-RUZDIDTESA-N. The full InChI is InChI=1S/C26H23NOS/c1-18-12-13-19(2)24(16-18)27-26(28)25(21-9-4-3-5-10-21)29-23-15-14-20-8-6-7-11-22(20)17-23/h3-17,25H,1-2H3,(H,27,28)/t25-/m1/s1.
What are the key properties of (2R)-N-(2,5-dimethylphenyl)-2-naphthalen-2-ylsulfanyl-2-phenylacetamide?
(2R)-N-(2,5-dimethylphenyl)-2-naphthalen-2-ylsulfanyl-2-phenylacetamide has a molecular weight of 397.54 g/mol, XLogP of 6.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-dimethylphenyl)-2-naphthalen-2-ylsulfanyl-2-phenylacetamide is sourced from PubChem (CID 7402711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).