N-[(2-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide

C15H20N2O2S — CID 804772

IUPACN-[(2-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide
SMILESCOc1ccccc1NC(=S)NC(=O)C1CCCCC1
InChIInChI=1S/C15H20N2O2S/c1-19-13-10-6-5-9-12(13)16-15(20)17-14(18)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H2,16,17,18,20)
InChIKeyTXKJWOCJKVIDTM-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.09
Rot. Bonds3

About N-[(2-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide

N-[(2-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide (PubChem CID 804772) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide
PubChem CID804772
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[(2-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide
SMILESCOc1ccccc1NC(=S)NC(=O)C1CCCCC1
InChIInChI=1S/C15H20N2O2S/c1-19-13-10-6-5-9-12(13)16-15(20)17-14(18)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H2,16,17,18,20)
InChIKeyTXKJWOCJKVIDTM-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
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-[(2-methylphenyl)carbamothioyl]cyclohexanecarboxamide
CID 797213
N-[(2-butoxyphenyl)carbamothioyl]cyclopropanecarboxamide
CID 17087162
N-[2-(2-methoxyanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112998571
1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144578
4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150938
N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide
CID 3502281
2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879
N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]cyclopentanecarboxamide
CID 2396710
[2-(2-methoxyanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 2364845
N-[(4-methoxyphenyl)carbamothioyl]cyclopentanecarboxamide
CID 4924408
2-hydroxy-N-(2-methoxyphenyl)cyclopentane-1-carboxamide
CID 110013580
trans-(1S,2S)-2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6940396

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide?
The IUPAC name of N-[(2-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide (CID 804772) is N-[(2-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide is COc1ccccc1NC(=S)NC(=O)C1CCCCC1.
What is the InChIKey of N-[(2-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide?
The InChIKey is TXKJWOCJKVIDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-19-13-10-6-5-9-12(13)16-15(20)17-14(18)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H2,16,17,18,20).
What are the key properties of N-[(2-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide?
N-[(2-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide has a molecular weight of 292.40 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide is sourced from PubChem (CID 804772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).