(2S)-N-(2,5-dimethylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-phenylacetamide

C20H24N2O3S — CID 8009326

IUPAC(2S)-N-(2,5-dimethylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-phenylacetamide
SMILESCc1ccc(C)c(NC(=O)[C@@H](N[C@H]2CCS(=O)(=O)C2)c2ccccc2)c1
InChIInChI=1S/C20H24N2O3S/c1-14-8-9-15(2)18(12-14)22-20(23)19(16-6-4-3-5-7-16)21-17-10-11-26(24,25)13-17/h3-9,12,17,19,21H,10-11,13H2,1-2H3,(H,22,23)/t17-,19-/m0/s1
InChIKeySTHPLVCDZKZKQG-HKUYNNGSSA-N
MW372.49 g/mol
LogP2.76
Rot. Bonds5

About (2S)-N-(2,5-dimethylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-phenylacetamide

(2S)-N-(2,5-dimethylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-phenylacetamide (PubChem CID 8009326) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is (2S)-N-(2,5-dimethylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(2,5-dimethylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-phenylacetamide
PubChem CID8009326
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name(2S)-N-(2,5-dimethylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-phenylacetamide
SMILESCc1ccc(C)c(NC(=O)[C@@H](N[C@H]2CCS(=O)(=O)C2)c2ccccc2)c1
InChIInChI=1S/C20H24N2O3S/c1-14-8-9-15(2)18(12-14)22-20(23)19(16-6-4-3-5-7-16)21-17-10-11-26(24,25)13-17/h3-9,12,17,19,21H,10-11,13H2,1-2H3,(H,22,23)/t17-,19-/m0/s1
InChIKeySTHPLVCDZKZKQG-HKUYNNGSSA-N
XLogP2.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-benzylpiperidin-4-yl)amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 4795826
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(1,1-dioxothiolan-3-yl)acetate
CID 45352131
N-(2,5-dimethylphenyl)-3-[(1,1-dioxothiolan-3-yl)amino]propanamide
CID 109026478
4-N-(2,5-dimethylphenyl)-1-N-(1,1-dioxothiolan-3-yl)benzene-1,4-dicarboxamide
CID 109048143
(2R)-N-(2,5-dimethylphenyl)-2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-phenylacetamide
CID 30641777
(2S)-N-(2,5-dimethylphenyl)-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-phenylacetamide
CID 30641796
(2S)-2-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 8773904
(2R)-N-(2,5-dimethylphenyl)-2-(4-methylanilino)-2-phenylacetamide
CID 7778075
1-N-(2,5-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide
CID 109138199
N-(2,5-dimethylphenyl)-2-phenyl-2-(propylamino)acetamide
CID 4781429
2-N-(2,5-dimethylphenyl)-6-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide
CID 109098733
(2R)-N-(2,5-dimethylphenyl)-2-(2-methylpropylamino)-2-phenylacetamide
CID 2396119

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-dimethylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-phenylacetamide?
The IUPAC name of (2S)-N-(2,5-dimethylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-phenylacetamide (CID 8009326) is (2S)-N-(2,5-dimethylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(2,5-dimethylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-phenylacetamide?
The canonical SMILES for (2S)-N-(2,5-dimethylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-phenylacetamide is Cc1ccc(C)c(NC(=O)[C@@H](N[C@H]2CCS(=O)(=O)C2)c2ccccc2)c1.
What is the InChIKey of (2S)-N-(2,5-dimethylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-phenylacetamide?
The InChIKey is STHPLVCDZKZKQG-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-14-8-9-15(2)18(12-14)22-20(23)19(16-6-4-3-5-7-16)21-17-10-11-26(24,25)13-17/h3-9,12,17,19,21H,10-11,13H2,1-2H3,(H,22,23)/t17-,19-/m0/s1.
What are the key properties of (2S)-N-(2,5-dimethylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-phenylacetamide?
(2S)-N-(2,5-dimethylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-phenylacetamide has a molecular weight of 372.49 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-dimethylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-phenylacetamide is sourced from PubChem (CID 8009326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).