4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide

C16H20N2OS — CID 47213059

IUPAC4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
SMILESNC(=S)c1ccc(C(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C16H20N2OS/c17-15(20)13-6-8-14(9-7-13)16(19)18-11-10-12-4-2-1-3-5-12/h4,6-9H,1-3,5,10-11H2,(H2,17,20)(H,18,19)
InChIKeyUHKXLLGGZWGMCM-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.94
Rot. Bonds5

About 4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide

4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide (PubChem CID 47213059) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
PubChem CID47213059
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
SMILESNC(=S)c1ccc(C(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C16H20N2OS/c17-15(20)13-6-8-14(9-7-13)16(19)18-11-10-12-4-2-1-3-5-12/h4,6-9H,1-3,5,10-11H2,(H2,17,20)(H,18,19)
InChIKeyUHKXLLGGZWGMCM-UHFFFAOYSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.94
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

4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 27666318
N-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide
CID 114153830
4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045014
4-N-(4-acetylphenyl)-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045058
N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide
CID 909201
N-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 18108486
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331630
N-[2-(cyclohexen-1-yl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92664163
N-[2-(cyclohexen-1-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 951577
3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103293
N-[2-(cyclohexen-1-yl)ethyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 50828875

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
The IUPAC name of 4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide (CID 47213059) is 4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
The canonical SMILES for 4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide is NC(=S)c1ccc(C(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of 4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
The InChIKey is UHKXLLGGZWGMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c17-15(20)13-6-8-14(9-7-13)16(19)18-11-10-12-4-2-1-3-5-12/h4,6-9H,1-3,5,10-11H2,(H2,17,20)(H,18,19).
What are the key properties of 4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide has a molecular weight of 288.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide is sourced from PubChem (CID 47213059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).