2-(4-carbamothioylphenyl)-N-(2-chlorophenyl)acetamide

C15H13ClN2OS — CID 63590322

IUPAC2-(4-carbamothioylphenyl)-N-(2-chlorophenyl)acetamide
SMILESNC(=S)c1ccc(CC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C15H13ClN2OS/c16-12-3-1-2-4-13(12)18-14(19)9-10-5-7-11(8-6-10)15(17)20/h1-8H,9H2,(H2,17,20)(H,18,19)
InChIKeyJFJBTOJVSCPESK-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.16
Rot. Bonds4

About 2-(4-carbamothioylphenyl)-N-(2-chlorophenyl)acetamide

2-(4-carbamothioylphenyl)-N-(2-chlorophenyl)acetamide (PubChem CID 63590322) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-(4-carbamothioylphenyl)-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-carbamothioylphenyl)-N-(2-chlorophenyl)acetamide
PubChem CID63590322
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC Name2-(4-carbamothioylphenyl)-N-(2-chlorophenyl)acetamide
SMILESNC(=S)c1ccc(CC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C15H13ClN2OS/c16-12-3-1-2-4-13(12)18-14(19)9-10-5-7-11(8-6-10)15(17)20/h1-8H,9H2,(H2,17,20)(H,18,19)
InChIKeyJFJBTOJVSCPESK-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.16
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

2-(4-carbamothioylphenyl)-N-(3-chloro-2-methylphenyl)acetamide
CID 63589257
1-[(4-carbamothioylphenyl)methyl]-3-(2-chlorophenyl)urea
CID 62311627
2-(4-carbamothioylphenoxy)-N-(2-chlorophenyl)acetamide
CID 28547111
N-(2-bromo-5-chlorophenyl)-2-(4-carbamothioylphenyl)acetamide
CID 81268674
2-(4-carbamothioylphenyl)-N-(4-chloro-2-iodophenyl)acetamide
CID 107626033
N-(2-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 25299245
2-(4-carbamothioylphenyl)-N-(3-chlorophenyl)acetamide
CID 63589612
N-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499380
N-(5-carbamothioyl-2-methylphenyl)-2-(2-chlorophenyl)acetamide
CID 62103714
N-(2-bromo-4-carbamothioylphenyl)-2-(2-chlorophenyl)acetamide
CID 107789853
N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110649990
N-(2-chlorophenyl)-2-sulfanylacetamide
CID 679489

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylphenyl)-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-(4-carbamothioylphenyl)-N-(2-chlorophenyl)acetamide (CID 63590322) is 2-(4-carbamothioylphenyl)-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-(4-carbamothioylphenyl)-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-(4-carbamothioylphenyl)-N-(2-chlorophenyl)acetamide is NC(=S)c1ccc(CC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of 2-(4-carbamothioylphenyl)-N-(2-chlorophenyl)acetamide?
The InChIKey is JFJBTOJVSCPESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c16-12-3-1-2-4-13(12)18-14(19)9-10-5-7-11(8-6-10)15(17)20/h1-8H,9H2,(H2,17,20)(H,18,19).
What are the key properties of 2-(4-carbamothioylphenyl)-N-(2-chlorophenyl)acetamide?
2-(4-carbamothioylphenyl)-N-(2-chlorophenyl)acetamide has a molecular weight of 304.80 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioylphenyl)-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 63590322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).