N-(5-carbamothioyl-2-methylphenyl)-2-(2-chlorophenyl)acetamide

C16H15ClN2OS — CID 62103714

IUPACN-(5-carbamothioyl-2-methylphenyl)-2-(2-chlorophenyl)acetamide
SMILESCc1ccc(C(N)=S)cc1NC(=O)Cc1ccccc1Cl
InChIInChI=1S/C16H15ClN2OS/c1-10-6-7-12(16(18)21)8-14(10)19-15(20)9-11-4-2-3-5-13(11)17/h2-8H,9H2,1H3,(H2,18,21)(H,19,20)
InChIKeyRJIQUOBNXWSCKU-UHFFFAOYSA-N
MW318.83 g/mol
LogP3.46
Rot. Bonds4

About N-(5-carbamothioyl-2-methylphenyl)-2-(2-chlorophenyl)acetamide

N-(5-carbamothioyl-2-methylphenyl)-2-(2-chlorophenyl)acetamide (PubChem CID 62103714) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is N-(5-carbamothioyl-2-methylphenyl)-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(5-carbamothioyl-2-methylphenyl)-2-(2-chlorophenyl)acetamide
PubChem CID62103714
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC NameN-(5-carbamothioyl-2-methylphenyl)-2-(2-chlorophenyl)acetamide
SMILESCc1ccc(C(N)=S)cc1NC(=O)Cc1ccccc1Cl
InChIInChI=1S/C16H15ClN2OS/c1-10-6-7-12(16(18)21)8-14(10)19-15(20)9-11-4-2-3-5-13(11)17/h2-8H,9H2,1H3,(H2,18,21)(H,19,20)
InChIKeyRJIQUOBNXWSCKU-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
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

3-[[2-(2-chlorophenyl)acetyl]amino]-N,4-dimethylbenzamide
CID 39132668
N-(2-bromo-4-carbamothioylphenyl)-2-(2-chlorophenyl)acetamide
CID 107789853
(5-carbamothioyl-2-methylphenyl)urea
CID 62104099
2-(4-carbamothioylphenyl)-N-(2-chlorophenyl)acetamide
CID 63590322
1-(5-carbamothioyl-2-methylphenyl)-3-(4-chlorophenyl)urea
CID 62103362
N-(5-carbamothioyl-2-methylphenyl)-2-methylbenzamide
CID 62103338
2-(4-carbamothioylphenyl)-N-(3-chloro-2-methylphenyl)acetamide
CID 63589257
4-chloro-3-[[2-(2-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 38957066
N-(5-chloro-2-methylphenyl)-2-(2-methylphenyl)acetamide
CID 8624306
N-(3-amino-4-methylphenyl)-2-(2-chlorophenyl)acetamide
CID 24694774
3-amino-4-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid
CID 63117383
methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-4-methoxybenzoate
CID 100633924

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamothioyl-2-methylphenyl)-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-(5-carbamothioyl-2-methylphenyl)-2-(2-chlorophenyl)acetamide (CID 62103714) is N-(5-carbamothioyl-2-methylphenyl)-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-(5-carbamothioyl-2-methylphenyl)-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-(5-carbamothioyl-2-methylphenyl)-2-(2-chlorophenyl)acetamide is Cc1ccc(C(N)=S)cc1NC(=O)Cc1ccccc1Cl.
What is the InChIKey of N-(5-carbamothioyl-2-methylphenyl)-2-(2-chlorophenyl)acetamide?
The InChIKey is RJIQUOBNXWSCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS/c1-10-6-7-12(16(18)21)8-14(10)19-15(20)9-11-4-2-3-5-13(11)17/h2-8H,9H2,1H3,(H2,18,21)(H,19,20).
What are the key properties of N-(5-carbamothioyl-2-methylphenyl)-2-(2-chlorophenyl)acetamide?
N-(5-carbamothioyl-2-methylphenyl)-2-(2-chlorophenyl)acetamide has a molecular weight of 318.83 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamothioyl-2-methylphenyl)-2-(2-chlorophenyl)acetamide is sourced from PubChem (CID 62103714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).