2-(2-benzylanilino)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide

C25H32N2O3S — CID 42919595

IUPAC2-(2-benzylanilino)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CNc1ccccc1Cc1ccccc1)N(C1CCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C25H32N2O3S/c28-25(27(22-12-5-2-6-13-22)23-15-16-31(29,30)19-23)18-26-24-14-8-7-11-21(24)17-20-9-3-1-4-10-20/h1,3-4,7-11,14,22-23,26H,2,5-6,12-13,15-19H2
InChIKeyUEZIAWKQWCZOMG-UHFFFAOYSA-N
MW440.61 g/mol
LogP4.04
Rot. Bonds7

About 2-(2-benzylanilino)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide

2-(2-benzylanilino)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 42919595) has the molecular formula C25H32N2O3S and a molecular weight of 440.61 g/mol. Its IUPAC name is 2-(2-benzylanilino)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-benzylanilino)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID42919595
Molecular FormulaC25H32N2O3S
Molecular Weight440.61 g/mol
Exact Mass440.21
IUPAC Name2-(2-benzylanilino)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CNc1ccccc1Cc1ccccc1)N(C1CCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C25H32N2O3S/c28-25(27(22-12-5-2-6-13-22)23-15-16-31(29,30)19-23)18-26-24-14-8-7-11-21(24)17-20-9-3-1-4-10-20/h1,3-4,7-11,14,22-23,26H,2,5-6,12-13,15-19H2
InChIKeyUEZIAWKQWCZOMG-UHFFFAOYSA-N
XLogP4.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(2-phenylsulfanylanilino)acetamide
CID 24583286
[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-benzylbenzoate
CID 41306041
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 96520981
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(2-fluoro-4-methylanilino)acetamide
CID 51248896
2-(4-bromo-2-methylanilino)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 26530759
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 84602964
2-[benzyl(cyclobutylmethyl)amino]-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 95344129
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 25362458
[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(methylamino)benzoate
CID 55390074
[2-[cyclopropyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-phenylacetate
CID 7697884
2-[benzhydryl(methyl)amino]-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 42913620
2-[(2S)-2-benzylpyrrolidin-1-yl]-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 32663956

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylanilino)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(2-benzylanilino)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide (CID 42919595) is 2-(2-benzylanilino)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(2-benzylanilino)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(2-benzylanilino)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide is O=C(CNc1ccccc1Cc1ccccc1)N(C1CCCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(2-benzylanilino)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is UEZIAWKQWCZOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3S/c28-25(27(22-12-5-2-6-13-22)23-15-16-31(29,30)19-23)18-26-24-14-8-7-11-21(24)17-20-9-3-1-4-10-20/h1,3-4,7-11,14,22-23,26H,2,5-6,12-13,15-19H2.
What are the key properties of 2-(2-benzylanilino)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide?
2-(2-benzylanilino)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 440.61 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylanilino)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 42919595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).