N-cyclohexyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide

C16H22N2OS — CID 2975130

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

About N-cyclohexyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide

N-cyclohexyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide (PubChem CID 2975130) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide
PubChem CID2975130
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-cyclohexyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide
SMILESO=C(NC1CCCCC1)C(=S)NCCc1ccccc1
InChIInChI=1S/C16H22N2OS/c19-15(18-14-9-5-2-6-10-14)16(20)17-12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,17,20)(H,18,19)
InChIKeyFCKGXNSHPSQWQB-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

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Ac-Phe-Phe-NH2
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2-(3,3-Diphenylpropylamino)acetamide
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N-{3-methyl-1-oxo-1-[(2-phenylethyl)amino]butan-2-yl}cyclohexanecarboxamide
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2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid
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compound 3d (PMID: 3941405)
CID 11241135
2-(S)-Amino-4-phenethylamino-1-piperidin-1-yl-butan-1-one
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide?
The IUPAC name of N-cyclohexyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide (CID 2975130) is N-cyclohexyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide.
What is the SMILES notation for N-cyclohexyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide?
The canonical SMILES for N-cyclohexyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide is O=C(NC1CCCCC1)C(=S)NCCc1ccccc1.
What is the InChIKey of N-cyclohexyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide?
The InChIKey is FCKGXNSHPSQWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c19-15(18-14-9-5-2-6-10-14)16(20)17-12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,17,20)(H,18,19).
What are the key properties of N-cyclohexyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide?
N-cyclohexyl-2-(2-phenylethylamino)-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 N-cyclohexyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide is sourced from PubChem (CID 2975130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).