N-[(2-chloro-4-propylphenyl)carbamothioyl]benzamide

C17H17ClN2OS — CID 21314050

IUPACN-[(2-chloro-4-propylphenyl)carbamothioyl]benzamide
SMILESCCCc1ccc(NC(=S)NC(=O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C17H17ClN2OS/c1-2-6-12-9-10-15(14(18)11-12)19-17(22)20-16(21)13-7-4-3-5-8-13/h3-5,7-11H,2,6H2,1H3,(H2,19,20,21,22)
InChIKeyYMFNFIGBWXRBSH-UHFFFAOYSA-N
MW332.86 g/mol
LogP4.42
Rot. Bonds4

About N-[(2-chloro-4-propylphenyl)carbamothioyl]benzamide

N-[(2-chloro-4-propylphenyl)carbamothioyl]benzamide (PubChem CID 21314050) has the molecular formula C17H17ClN2OS and a molecular weight of 332.86 g/mol. Its IUPAC name is N-[(2-chloro-4-propylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(2-chloro-4-propylphenyl)carbamothioyl]benzamide
PubChem CID21314050
Molecular FormulaC17H17ClN2OS
Molecular Weight332.86 g/mol
Exact Mass332.08
IUPAC NameN-[(2-chloro-4-propylphenyl)carbamothioyl]benzamide
SMILESCCCc1ccc(NC(=S)NC(=O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C17H17ClN2OS/c1-2-6-12-9-10-15(14(18)11-12)19-17(22)20-16(21)13-7-4-3-5-8-13/h3-5,7-11H,2,6H2,1H3,(H2,19,20,21,22)
InChIKeyYMFNFIGBWXRBSH-UHFFFAOYSA-N
XLogP4.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.86
LogP ≤ 54.42
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

N-[(2-butyl-4-chlorophenyl)carbamothioyl]benzamide
CID 21314057
N-[(4-chloro-2-ethylphenyl)carbamothioyl]benzamide
CID 21314078
N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 17100502
N-[(2,4-dichlorophenyl)carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 17134570
3-(benzoylcarbamothioylamino)-4,5-dichlorobenzoic acid
CID 91688333
N-[(2-chloro-4-iodophenyl)carbamothioyl]-3-propoxybenzamide
CID 2283172
N-[(2,6-dichloro-3-pyridinyl)carbamothioyl]benzamide
CID 13415572
N-[(4-amino-2-chlorophenyl)carbamothioyl]-4-tert-butylbenzamide
CID 53371643
N-[(4-bromo-2-chlorophenyl)carbamothioyl]-3-phenylmethoxybenzamide
CID 17115492
argon;N-[(4-butyl-2-pyridinyl)carbamothioyl]benzamide
CID 170549225
4-(benzoylcarbamothioylamino)-3,5-dichlorobenzoic acid
CID 50850018
4-bromo-N-[(2,4-dichlorophenyl)carbamothioyl]benzamide
CID 4673863

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-propylphenyl)carbamothioyl]benzamide?
The IUPAC name of N-[(2-chloro-4-propylphenyl)carbamothioyl]benzamide (CID 21314050) is N-[(2-chloro-4-propylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(2-chloro-4-propylphenyl)carbamothioyl]benzamide?
The canonical SMILES for N-[(2-chloro-4-propylphenyl)carbamothioyl]benzamide is CCCc1ccc(NC(=S)NC(=O)c2ccccc2)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-propylphenyl)carbamothioyl]benzamide?
The InChIKey is YMFNFIGBWXRBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2OS/c1-2-6-12-9-10-15(14(18)11-12)19-17(22)20-16(21)13-7-4-3-5-8-13/h3-5,7-11H,2,6H2,1H3,(H2,19,20,21,22).
What are the key properties of N-[(2-chloro-4-propylphenyl)carbamothioyl]benzamide?
N-[(2-chloro-4-propylphenyl)carbamothioyl]benzamide has a molecular weight of 332.86 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-propylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 21314050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).