2-(cyclohexylamino)-N-(4-ethoxyphenyl)-2-sulfanylideneacetamide

C16H22N2O2S — CID 2975664

IUPAC2-(cyclohexylamino)-N-(4-ethoxyphenyl)-2-sulfanylideneacetamide
SMILESCCOc1ccc(NC(=O)C(=S)NC2CCCCC2)cc1
InChIInChI=1S/C16H22N2O2S/c1-2-20-14-10-8-13(9-11-14)17-15(19)16(21)18-12-6-4-3-5-7-12/h8-12H,2-7H2,1H3,(H,17,19)(H,18,21)
InChIKeySGLJVSHKNLUEOW-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.27
Rot. Bonds4

About 2-(cyclohexylamino)-N-(4-ethoxyphenyl)-2-sulfanylideneacetamide

2-(cyclohexylamino)-N-(4-ethoxyphenyl)-2-sulfanylideneacetamide (PubChem CID 2975664) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-(4-ethoxyphenyl)-2-sulfanylideneacetamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-(4-ethoxyphenyl)-2-sulfanylideneacetamide
PubChem CID2975664
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-(cyclohexylamino)-N-(4-ethoxyphenyl)-2-sulfanylideneacetamide
SMILESCCOc1ccc(NC(=O)C(=S)NC2CCCCC2)cc1
InChIInChI=1S/C16H22N2O2S/c1-2-20-14-10-8-13(9-11-14)17-15(19)16(21)18-12-6-4-3-5-7-12/h8-12H,2-7H2,1H3,(H,17,19)(H,18,21)
InChIKeySGLJVSHKNLUEOW-UHFFFAOYSA-N
XLogP3.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cycloheptyl-3-(4-ethoxyphenyl)thiourea
CID 8627943
2-(cyclopentylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide
CID 5206285
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
N-(cyclohexylmethyl)-N'-(4-ethoxyphenyl)oxamide
CID 2988776
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide
CID 95347120
N-(4-ethoxyphenyl)-2-piperidin-1-yl-2-sulfanylideneacetamide
CID 2976563
N-cyclopentyl-2-(4-ethoxyanilino)acetamide
CID 28569669
2-(cyclopentylamino)-N-(4-ethoxyphenyl)acetamide
CID 47107212
1,3-bis(4-ethoxyphenyl)thiourea;dicyclohexylalumane
CID 173293068
1-N-cyclopropyl-4-N-(4-ethoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109144778
2-(cyclopentylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide
CID 3432292
4-[[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-N-(4-ethoxyphenyl)benzamide
CID 2420633

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-(4-ethoxyphenyl)-2-sulfanylideneacetamide?
The IUPAC name of 2-(cyclohexylamino)-N-(4-ethoxyphenyl)-2-sulfanylideneacetamide (CID 2975664) is 2-(cyclohexylamino)-N-(4-ethoxyphenyl)-2-sulfanylideneacetamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-(4-ethoxyphenyl)-2-sulfanylideneacetamide?
The canonical SMILES for 2-(cyclohexylamino)-N-(4-ethoxyphenyl)-2-sulfanylideneacetamide is CCOc1ccc(NC(=O)C(=S)NC2CCCCC2)cc1.
What is the InChIKey of 2-(cyclohexylamino)-N-(4-ethoxyphenyl)-2-sulfanylideneacetamide?
The InChIKey is SGLJVSHKNLUEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-2-20-14-10-8-13(9-11-14)17-15(19)16(21)18-12-6-4-3-5-7-12/h8-12H,2-7H2,1H3,(H,17,19)(H,18,21).
What are the key properties of 2-(cyclohexylamino)-N-(4-ethoxyphenyl)-2-sulfanylideneacetamide?
2-(cyclohexylamino)-N-(4-ethoxyphenyl)-2-sulfanylideneacetamide has a molecular weight of 306.43 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-(4-ethoxyphenyl)-2-sulfanylideneacetamide is sourced from PubChem (CID 2975664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).