2-(cyclohexylamino)-N-(2-phenylethyl)-2-sulfanylideneacetamide

C16H22N2OS — CID 2977537

IUPAC2-(cyclohexylamino)-N-(2-phenylethyl)-2-sulfanylideneacetamide
SMILESO=C(NCCc1ccccc1)C(=S)NC1CCCCC1
InChIInChI=1S/C16H22N2OS/c19-15(16(20)18-14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,17,19)(H,18,20)
InChIKeyXVGVWGOIUONRMQ-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.60
Rot. Bonds4

About 2-(cyclohexylamino)-N-(2-phenylethyl)-2-sulfanylideneacetamide

2-(cyclohexylamino)-N-(2-phenylethyl)-2-sulfanylideneacetamide (PubChem CID 2977537) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-(2-phenylethyl)-2-sulfanylideneacetamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-(2-phenylethyl)-2-sulfanylideneacetamide
PubChem CID2977537
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-(cyclohexylamino)-N-(2-phenylethyl)-2-sulfanylideneacetamide
SMILESO=C(NCCc1ccccc1)C(=S)NC1CCCCC1
InChIInChI=1S/C16H22N2OS/c19-15(16(20)18-14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,17,19)(H,18,20)
InChIKeyXVGVWGOIUONRMQ-UHFFFAOYSA-N
XLogP2.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-cyclododecyl-3-(2-phenylethyl)thiourea
CID 17298455
2-(benzylamino)-N-cyclohexyl-2-sulfanylideneacetamide
CID 2976790
1-N'-cycloheptyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977110
1-N-cycloheptyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137355
(3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 7435336
N'-cyclododecyl-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 108517458
1-benzyl-3-(cyclohexylcarbamothioyl)urea
CID 134871380
1-(cyclohexylmethyl)-3-(2-phenylethyl)thiourea
CID 23821003
2-(cyclohexylamino)-2-sulfanylidene-N-(thiophen-2-ylmethyl)acetamide
CID 3274426
N-cycloheptyl-2-(cyclopentylamino)-2-sulfanylideneacetamide
CID 2975425
N-[2-(3-chlorophenyl)ethyl]-N'-cyclopentyloxamide
CID 108984045
N'-cyclopentyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide
CID 16892223

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-(2-phenylethyl)-2-sulfanylideneacetamide?
The IUPAC name of 2-(cyclohexylamino)-N-(2-phenylethyl)-2-sulfanylideneacetamide (CID 2977537) is 2-(cyclohexylamino)-N-(2-phenylethyl)-2-sulfanylideneacetamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-(2-phenylethyl)-2-sulfanylideneacetamide?
The canonical SMILES for 2-(cyclohexylamino)-N-(2-phenylethyl)-2-sulfanylideneacetamide is O=C(NCCc1ccccc1)C(=S)NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)-N-(2-phenylethyl)-2-sulfanylideneacetamide?
The InChIKey is XVGVWGOIUONRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c19-15(16(20)18-14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,17,19)(H,18,20).
What are the key properties of 2-(cyclohexylamino)-N-(2-phenylethyl)-2-sulfanylideneacetamide?
2-(cyclohexylamino)-N-(2-phenylethyl)-2-sulfanylideneacetamide has a molecular weight of 290.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-(2-phenylethyl)-2-sulfanylideneacetamide is sourced from PubChem (CID 2977537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).