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

C14H18N2O2S — CID 3432292

IUPAC2-(cyclopentylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide
SMILESCOc1cccc(NC(=O)C(=S)NC2CCCC2)c1
InChIInChI=1S/C14H18N2O2S/c1-18-12-8-4-7-11(9-12)15-13(17)14(19)16-10-5-2-3-6-10/h4,7-10H,2-3,5-6H2,1H3,(H,15,17)(H,16,19)
InChIKeyLUDHBGRRTIYLEI-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.49
Rot. Bonds3

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

2-(cyclopentylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide (PubChem CID 3432292) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide
PubChem CID3432292
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-(cyclopentylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide
SMILESCOc1cccc(NC(=O)C(=S)NC2CCCC2)c1
InChIInChI=1S/C14H18N2O2S/c1-18-12-8-4-7-11(9-12)15-13(17)14(19)16-10-5-2-3-6-10/h4,7-10H,2-3,5-6H2,1H3,(H,15,17)(H,16,19)
InChIKeyLUDHBGRRTIYLEI-UHFFFAOYSA-N
XLogP2.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.49
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

N-cyclopentyl-N'-(3-methoxyphenyl)oxamide
CID 7541556
1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea
CID 10295162
N-cycloheptyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 26624583
N-(4-bromophenyl)-2-(3-methoxyanilino)-2-sulfanylideneacetamide
CID 17386382
(2S)-2-N-cyclopentyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1433458
4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190108
1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea
CID 61310941
N-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109249645
2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide
CID 6495959
1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657
N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109263127
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide?
The IUPAC name of 2-(cyclopentylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide (CID 3432292) is 2-(cyclopentylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide?
The canonical SMILES for 2-(cyclopentylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide is COc1cccc(NC(=O)C(=S)NC2CCCC2)c1.
What is the InChIKey of 2-(cyclopentylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide?
The InChIKey is LUDHBGRRTIYLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-18-12-8-4-7-11(9-12)15-13(17)14(19)16-10-5-2-3-6-10/h4,7-10H,2-3,5-6H2,1H3,(H,15,17)(H,16,19).
What are the key properties of 2-(cyclopentylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide?
2-(cyclopentylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide has a molecular weight of 278.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide is sourced from PubChem (CID 3432292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).