2-(4-carbamothioylphenyl)-N-(3-chlorophenyl)acetamide

C15H13ClN2OS — CID 63589612

IUPAC2-(4-carbamothioylphenyl)-N-(3-chlorophenyl)acetamide
SMILESNC(=S)c1ccc(CC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H13ClN2OS/c16-12-2-1-3-13(9-12)18-14(19)8-10-4-6-11(7-5-10)15(17)20/h1-7,9H,8H2,(H2,17,20)(H,18,19)
InChIKeyWDAZOOFTMQQPSW-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.16
Rot. Bonds4

About 2-(4-carbamothioylphenyl)-N-(3-chlorophenyl)acetamide

2-(4-carbamothioylphenyl)-N-(3-chlorophenyl)acetamide (PubChem CID 63589612) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-(4-carbamothioylphenyl)-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-carbamothioylphenyl)-N-(3-chlorophenyl)acetamide
PubChem CID63589612
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC Name2-(4-carbamothioylphenyl)-N-(3-chlorophenyl)acetamide
SMILESNC(=S)c1ccc(CC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H13ClN2OS/c16-12-2-1-3-13(9-12)18-14(19)8-10-4-6-11(7-5-10)15(17)20/h1-7,9H,8H2,(H2,17,20)(H,18,19)
InChIKeyWDAZOOFTMQQPSW-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

N-(3-chlorophenyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide
CID 77001317
2-(4-carbamothioylphenyl)-N-(3-methylsulfanylphenyl)acetamide
CID 63589779
4-[[2-(3-chlorophenyl)acetyl]amino]benzamide
CID 56922735
2-(4-carbamothioylphenyl)-N-pyridin-4-ylacetamide
CID 63589271
N-(2-bromo-5-chlorophenyl)-2-(4-carbamothioylphenyl)acetamide
CID 81268674
2-(4-carbamothioylphenyl)-N-(4-chloro-2-iodophenyl)acetamide
CID 107626033
2-(4-carbamothioylphenyl)-N-(2-chlorophenyl)acetamide
CID 63590322
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759274
N-[(3-chlorophenyl)carbamothioyl]-2-phenylacetamide
CID 916501
3-(2-amino-2-sulfanylideneethyl)-N-(3-chlorophenyl)benzamide
CID 82179528
2-(4-carbamothioylphenyl)-N-(3-chloro-2-methylphenyl)acetamide
CID 63589257
N-(3-chlorophenyl)-2-(3-methylphenyl)acetamide
CID 9497443

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylphenyl)-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-(4-carbamothioylphenyl)-N-(3-chlorophenyl)acetamide (CID 63589612) is 2-(4-carbamothioylphenyl)-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-(4-carbamothioylphenyl)-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-(4-carbamothioylphenyl)-N-(3-chlorophenyl)acetamide is NC(=S)c1ccc(CC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(4-carbamothioylphenyl)-N-(3-chlorophenyl)acetamide?
The InChIKey is WDAZOOFTMQQPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c16-12-2-1-3-13(9-12)18-14(19)8-10-4-6-11(7-5-10)15(17)20/h1-7,9H,8H2,(H2,17,20)(H,18,19).
What are the key properties of 2-(4-carbamothioylphenyl)-N-(3-chlorophenyl)acetamide?
2-(4-carbamothioylphenyl)-N-(3-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-(3-chlorophenyl)acetamide is sourced from PubChem (CID 63589612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).