N-[(2-methylidenecyclohexyl)methylcarbamothioyl]benzamide

C16H20N2OS — CID 89316401

IUPACN-[(2-methylidenecyclohexyl)methylcarbamothioyl]benzamide
SMILESC=C1CCCCC1CNC(=S)NC(=O)c1ccccc1
InChIInChI=1S/C16H20N2OS/c1-12-7-5-6-10-14(12)11-17-16(20)18-15(19)13-8-3-2-4-9-13/h2-4,8-9,14H,1,5-7,10-11H2,(H2,17,18,19,20)
InChIKeyTWJUIUZGUPBJSB-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.04
Rot. Bonds3

About N-[(2-methylidenecyclohexyl)methylcarbamothioyl]benzamide

N-[(2-methylidenecyclohexyl)methylcarbamothioyl]benzamide (PubChem CID 89316401) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[(2-methylidenecyclohexyl)methylcarbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(2-methylidenecyclohexyl)methylcarbamothioyl]benzamide
PubChem CID89316401
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[(2-methylidenecyclohexyl)methylcarbamothioyl]benzamide
SMILESC=C1CCCCC1CNC(=S)NC(=O)c1ccccc1
InChIInChI=1S/C16H20N2OS/c1-12-7-5-6-10-14(12)11-17-16(20)18-15(19)13-8-3-2-4-9-13/h2-4,8-9,14H,1,5-7,10-11H2,(H2,17,18,19,20)
InChIKeyTWJUIUZGUPBJSB-UHFFFAOYSA-N
XLogP3.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(benzoylcarbamothioyl)benzamide;ethene
CID 157078951
N-(cyclopropylcarbamothioyl)benzamide
CID 3620996
(2-methylidenecycloheptyl)-phenylmethanone
CID 100964803
N-(benzylcarbamothioyl)benzamide
CID 700976
[(1S)-2-methylidenecycloheptyl]-phenylmethanone
CID 102046859
N-[[4-(2-methylpropanoylamino)cyclohexyl]methylcarbamothioyl]benzamide
CID 22253971
N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide
CID 909201
N-(3-hydroxypropylcarbamothioyl)benzamide
CID 4927187
N-[2-(4-methylphenyl)ethylcarbamothioyl]benzamide
CID 88874738
3-(benzoylcarbamothioylamino)propyl-tert-butylcarbamic acid
CID 118379604
4-tert-butyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide
CID 2947452
3-(benzoylcarbamothioylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42427579

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylidenecyclohexyl)methylcarbamothioyl]benzamide?
The IUPAC name of N-[(2-methylidenecyclohexyl)methylcarbamothioyl]benzamide (CID 89316401) is N-[(2-methylidenecyclohexyl)methylcarbamothioyl]benzamide.
What is the SMILES notation for N-[(2-methylidenecyclohexyl)methylcarbamothioyl]benzamide?
The canonical SMILES for N-[(2-methylidenecyclohexyl)methylcarbamothioyl]benzamide is C=C1CCCCC1CNC(=S)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2-methylidenecyclohexyl)methylcarbamothioyl]benzamide?
The InChIKey is TWJUIUZGUPBJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12-7-5-6-10-14(12)11-17-16(20)18-15(19)13-8-3-2-4-9-13/h2-4,8-9,14H,1,5-7,10-11H2,(H2,17,18,19,20).
What are the key properties of N-[(2-methylidenecyclohexyl)methylcarbamothioyl]benzamide?
N-[(2-methylidenecyclohexyl)methylcarbamothioyl]benzamide has a molecular weight of 288.42 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylidenecyclohexyl)methylcarbamothioyl]benzamide is sourced from PubChem (CID 89316401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).