N-cyclohexyl-N'-(3-methylsulfanylphenyl)oxamide

C15H20N2O2S — CID 18588616

IUPACN-cyclohexyl-N'-(3-methylsulfanylphenyl)oxamide
SMILESCSc1cccc(NC(=O)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C15H20N2O2S/c1-20-13-9-5-8-12(10-13)17-15(19)14(18)16-11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyZFLIJVZYHOYJGI-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.80
Rot. Bonds3

About N-cyclohexyl-N'-(3-methylsulfanylphenyl)oxamide

N-cyclohexyl-N'-(3-methylsulfanylphenyl)oxamide (PubChem CID 18588616) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-cyclohexyl-N'-(3-methylsulfanylphenyl)oxamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-(3-methylsulfanylphenyl)oxamide
PubChem CID18588616
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-cyclohexyl-N'-(3-methylsulfanylphenyl)oxamide
SMILESCSc1cccc(NC(=O)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C15H20N2O2S/c1-20-13-9-5-8-12(10-13)17-15(19)14(18)16-11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyZFLIJVZYHOYJGI-UHFFFAOYSA-N
XLogP2.80
TPSA58.20 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 ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclododecyl-3-(3-methylsulfanylphenyl)urea
CID 17087586
1-cyclopentyl-3-(3-methylsulfanylphenyl)thiourea
CID 116507255
N-cyclopentyl-N'-(3-hydroxyphenyl)oxamide
CID 44995644
N-cyclohexyl-N'-phenyloxamide
CID 2271218
N-cyclopentyl-N'-(3-methoxyphenyl)oxamide
CID 7541556
N-cycloheptyl-N'-(3-fluoro-4-methylphenyl)oxamide
CID 7585166
4-[(3-methylsulfanylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61183412
3-[(3-methylsulfanylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63042817
N-cycloheptyl-N'-(4-methylphenyl)oxamide
CID 2287607
N-cyclododecyl-N'-(4-methylphenyl)oxamide
CID 2924110
N'-(3-methylsulfanylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 41453015
N-cyclohexyl-N'-(3,4-dichlorophenyl)oxamide
CID 2058101

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-(3-methylsulfanylphenyl)oxamide?
The IUPAC name of N-cyclohexyl-N'-(3-methylsulfanylphenyl)oxamide (CID 18588616) is N-cyclohexyl-N'-(3-methylsulfanylphenyl)oxamide.
What is the SMILES notation for N-cyclohexyl-N'-(3-methylsulfanylphenyl)oxamide?
The canonical SMILES for N-cyclohexyl-N'-(3-methylsulfanylphenyl)oxamide is CSc1cccc(NC(=O)C(=O)NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-N'-(3-methylsulfanylphenyl)oxamide?
The InChIKey is ZFLIJVZYHOYJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-20-13-9-5-8-12(10-13)17-15(19)14(18)16-11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-cyclohexyl-N'-(3-methylsulfanylphenyl)oxamide?
N-cyclohexyl-N'-(3-methylsulfanylphenyl)oxamide has a molecular weight of 292.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-(3-methylsulfanylphenyl)oxamide is sourced from PubChem (CID 18588616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).