N-(4-carbamothioyl-2-chlorophenyl)-4-ethylbenzamide

C16H15ClN2OS — CID 107808338

IUPACN-(4-carbamothioyl-2-chlorophenyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(C(N)=S)cc2Cl)cc1
InChIInChI=1S/C16H15ClN2OS/c1-2-10-3-5-11(6-4-10)16(20)19-14-8-7-12(15(18)21)9-13(14)17/h3-9H,2H2,1H3,(H2,18,21)(H,19,20)
InChIKeyHBHILSJCWOQTKU-UHFFFAOYSA-N
MW318.83 g/mol
LogP3.79
Rot. Bonds4

About N-(4-carbamothioyl-2-chlorophenyl)-4-ethylbenzamide

N-(4-carbamothioyl-2-chlorophenyl)-4-ethylbenzamide (PubChem CID 107808338) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is N-(4-carbamothioyl-2-chlorophenyl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-2-chlorophenyl)-4-ethylbenzamide
PubChem CID107808338
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC NameN-(4-carbamothioyl-2-chlorophenyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(C(N)=S)cc2Cl)cc1
InChIInChI=1S/C16H15ClN2OS/c1-2-10-3-5-11(6-4-10)16(20)19-14-8-7-12(15(18)21)9-13(14)17/h3-9H,2H2,1H3,(H2,18,21)(H,19,20)
InChIKeyHBHILSJCWOQTKU-UHFFFAOYSA-N
XLogP3.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 53.79
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-(4-carbamothioyl-2-chlorophenyl)-4-methoxybenzamide
CID 107808544
N-(2-carbamothioyl-5-chlorophenyl)-4-ethylbenzamide
CID 64916815
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethylbenzamide
CID 17102278
N-(4-carbamothioyl-2-chlorophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 107808537
N-(4-amino-2,5-dichlorophenyl)-4-ethylbenzamide
CID 50881110
(4-carbamothioyl-2-chlorophenyl)urea
CID 107808654
N-(4-carbamothioyl-2-chlorophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 107808440
3-bromo-N-(4-carbamothioyl-2-chlorophenyl)-5-fluorobenzamide
CID 107808488
1-butyl-3-(4-carbamothioyl-2-chlorophenyl)urea
CID 107808646
ethyl 4-benzamido-3-chlorobenzoate
CID 28634288
N-(4-carbamothioyl-2-chlorophenyl)-4-methylpentanamide
CID 114003499
N-(2-amino-5-chloro-4-methylphenyl)-4-ethylbenzamide
CID 91687295

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-2-chlorophenyl)-4-ethylbenzamide?
The IUPAC name of N-(4-carbamothioyl-2-chlorophenyl)-4-ethylbenzamide (CID 107808338) is N-(4-carbamothioyl-2-chlorophenyl)-4-ethylbenzamide.
What is the SMILES notation for N-(4-carbamothioyl-2-chlorophenyl)-4-ethylbenzamide?
The canonical SMILES for N-(4-carbamothioyl-2-chlorophenyl)-4-ethylbenzamide is CCc1ccc(C(=O)Nc2ccc(C(N)=S)cc2Cl)cc1.
What is the InChIKey of N-(4-carbamothioyl-2-chlorophenyl)-4-ethylbenzamide?
The InChIKey is HBHILSJCWOQTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS/c1-2-10-3-5-11(6-4-10)16(20)19-14-8-7-12(15(18)21)9-13(14)17/h3-9H,2H2,1H3,(H2,18,21)(H,19,20).
What are the key properties of N-(4-carbamothioyl-2-chlorophenyl)-4-ethylbenzamide?
N-(4-carbamothioyl-2-chlorophenyl)-4-ethylbenzamide has a molecular weight of 318.83 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-2-chlorophenyl)-4-ethylbenzamide is sourced from PubChem (CID 107808338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).