2-(cyclohexylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide

C15H20N2O2S — CID 2976140

IUPAC2-(cyclohexylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide
SMILESCOc1cccc(NC(=O)C(=S)NC2CCCCC2)c1
InChIInChI=1S/C15H20N2O2S/c1-19-13-9-5-8-12(10-13)16-14(18)15(20)17-11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,16,18)(H,17,20)
InChIKeyCDNPZGHQQDRBNX-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.88
Rot. Bonds3

About 2-(cyclohexylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide

2-(cyclohexylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide (PubChem CID 2976140) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide
PubChem CID2976140
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-(cyclohexylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide
SMILESCOc1cccc(NC(=O)C(=S)NC2CCCCC2)c1
InChIInChI=1S/C15H20N2O2S/c1-19-13-9-5-8-12(10-13)16-14(18)15(20)17-11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,16,18)(H,17,20)
InChIKeyCDNPZGHQQDRBNX-UHFFFAOYSA-N
XLogP2.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide?
The IUPAC name of 2-(cyclohexylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide (CID 2976140) is 2-(cyclohexylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide?
The canonical SMILES for 2-(cyclohexylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide is COc1cccc(NC(=O)C(=S)NC2CCCCC2)c1.
What is the InChIKey of 2-(cyclohexylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide?
The InChIKey is CDNPZGHQQDRBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-19-13-9-5-8-12(10-13)16-14(18)15(20)17-11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,16,18)(H,17,20).
What are the key properties of 2-(cyclohexylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide?
2-(cyclohexylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide has a molecular weight of 292.40 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide is sourced from PubChem (CID 2976140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).