2-[benzhydryl(methyl)amino]-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide

C26H34N2O3S — CID 42913620

IUPAC2-[benzhydryl(methyl)amino]-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCN(CC(=O)N(C1CCCCC1)C1CCS(=O)(=O)C1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H34N2O3S/c1-27(26(21-11-5-2-6-12-21)22-13-7-3-8-14-22)19-25(29)28(23-15-9-4-10-16-23)24-17-18-32(30,31)20-24/h2-3,5-8,11-14,23-24,26H,4,9-10,15-20H2,1H3
InChIKeyVOZHQVUZDSOFFQ-UHFFFAOYSA-N
MW454.64 g/mol
LogP4.06
Rot. Bonds7

About 2-[benzhydryl(methyl)amino]-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide

2-[benzhydryl(methyl)amino]-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 42913620) has the molecular formula C26H34N2O3S and a molecular weight of 454.64 g/mol. Its IUPAC name is 2-[benzhydryl(methyl)amino]-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[benzhydryl(methyl)amino]-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID42913620
Molecular FormulaC26H34N2O3S
Molecular Weight454.64 g/mol
Exact Mass454.23
IUPAC Name2-[benzhydryl(methyl)amino]-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCN(CC(=O)N(C1CCCCC1)C1CCS(=O)(=O)C1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H34N2O3S/c1-27(26(21-11-5-2-6-12-21)22-13-7-3-8-14-22)19-25(29)28(23-15-9-4-10-16-23)24-17-18-32(30,31)20-24/h2-3,5-8,11-14,23-24,26H,4,9-10,15-20H2,1H3
InChIKeyVOZHQVUZDSOFFQ-UHFFFAOYSA-N
XLogP4.06
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.64
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 46614350
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]acetamide
CID 75414639
[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-phenylbutanoate
CID 55316357
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 25362458
2-[benzyl(cyclobutylmethyl)amino]-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 95344129
2-(4-benzhydrylpiperazin-1-yl)-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 30633733
2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 60523416
2-[benzhydryl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 27071721
2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 51170978
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 7376539
[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-hydroxybenzoate
CID 7890733
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 40804196

Frequently Asked Questions

What is the IUPAC name of 2-[benzhydryl(methyl)amino]-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-[benzhydryl(methyl)amino]-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide (CID 42913620) is 2-[benzhydryl(methyl)amino]-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-[benzhydryl(methyl)amino]-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-[benzhydryl(methyl)amino]-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide is CN(CC(=O)N(C1CCCCC1)C1CCS(=O)(=O)C1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[benzhydryl(methyl)amino]-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is VOZHQVUZDSOFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3S/c1-27(26(21-11-5-2-6-12-21)22-13-7-3-8-14-22)19-25(29)28(23-15-9-4-10-16-23)24-17-18-32(30,31)20-24/h2-3,5-8,11-14,23-24,26H,4,9-10,15-20H2,1H3.
What are the key properties of 2-[benzhydryl(methyl)amino]-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide?
2-[benzhydryl(methyl)amino]-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 454.64 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzhydryl(methyl)amino]-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 42913620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).