4-carbamothioyl-N-(cyclopropylmethyl)benzamide

C12H14N2OS — CID 24690503

IUPAC4-carbamothioyl-N-(cyclopropylmethyl)benzamide
SMILESNC(=S)c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C12H14N2OS/c13-11(16)9-3-5-10(6-4-9)12(15)14-7-8-1-2-8/h3-6,8H,1-2,7H2,(H2,13,16)(H,14,15)
InChIKeyJKIMNZOUUBEIJI-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.46
Rot. Bonds4

About 4-carbamothioyl-N-(cyclopropylmethyl)benzamide

4-carbamothioyl-N-(cyclopropylmethyl)benzamide (PubChem CID 24690503) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-carbamothioyl-N-(cyclopropylmethyl)benzamide.

Molecular Properties

Compound Name4-carbamothioyl-N-(cyclopropylmethyl)benzamide
PubChem CID24690503
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name4-carbamothioyl-N-(cyclopropylmethyl)benzamide
SMILESNC(=S)c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C12H14N2OS/c13-11(16)9-3-5-10(6-4-9)12(15)14-7-8-1-2-8/h3-6,8H,1-2,7H2,(H2,13,16)(H,14,15)
InChIKeyJKIMNZOUUBEIJI-UHFFFAOYSA-N
XLogP1.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-carbamothioyl-N-[(1,1-dioxothiolan-2-yl)methyl]benzamide
CID 81038480
2-(4-carbamothioylphenyl)-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107413395
N-(cyclopropylmethyl)-4-(ethylamino)benzamide
CID 62173113
2-(4-carbamothioylphenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 63612862
4-carbamothioyl-N-(1,4-dioxan-2-ylmethyl)benzamide
CID 54908262
N-(cyclopentylmethyl)-4-sulfanylbenzamide
CID 107022611
4-amino-N-(oxan-4-ylmethyl)benzamide
CID 63727258
4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide
CID 10380630
2-(carbamothioylamino)-N-(cyclopropylmethyl)pyridine-4-carboxamide
CID 167030632
N-(cyclohexylmethyl)-4-iodobenzamide
CID 42992498
N-[(4-bromocyclohexyl)methyl]benzamide
CID 106134088
N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide
CID 106124772

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N-(cyclopropylmethyl)benzamide?
The IUPAC name of 4-carbamothioyl-N-(cyclopropylmethyl)benzamide (CID 24690503) is 4-carbamothioyl-N-(cyclopropylmethyl)benzamide.
What is the SMILES notation for 4-carbamothioyl-N-(cyclopropylmethyl)benzamide?
The canonical SMILES for 4-carbamothioyl-N-(cyclopropylmethyl)benzamide is NC(=S)c1ccc(C(=O)NCC2CC2)cc1.
What is the InChIKey of 4-carbamothioyl-N-(cyclopropylmethyl)benzamide?
The InChIKey is JKIMNZOUUBEIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c13-11(16)9-3-5-10(6-4-9)12(15)14-7-8-1-2-8/h3-6,8H,1-2,7H2,(H2,13,16)(H,14,15).
What are the key properties of 4-carbamothioyl-N-(cyclopropylmethyl)benzamide?
4-carbamothioyl-N-(cyclopropylmethyl)benzamide has a molecular weight of 234.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioyl-N-(cyclopropylmethyl)benzamide is sourced from PubChem (CID 24690503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).