N-[(3-chlorophenyl)carbamothioyl]-2-phenylacetamide

C15H13ClN2OS — CID 916501

IUPACN-[(3-chlorophenyl)carbamothioyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(=S)Nc1cccc(Cl)c1
InChIInChI=1S/C15H13ClN2OS/c16-12-7-4-8-13(10-12)17-15(20)18-14(19)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,17,18,19,20)
InChIKeyPFZZTLNMRWEDFG-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.40
Rot. Bonds3

About N-[(3-chlorophenyl)carbamothioyl]-2-phenylacetamide

N-[(3-chlorophenyl)carbamothioyl]-2-phenylacetamide (PubChem CID 916501) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is N-[(3-chlorophenyl)carbamothioyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)carbamothioyl]-2-phenylacetamide
PubChem CID916501
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC NameN-[(3-chlorophenyl)carbamothioyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(=S)Nc1cccc(Cl)c1
InChIInChI=1S/C15H13ClN2OS/c16-12-7-4-8-13(10-12)17-15(20)18-14(19)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,17,18,19,20)
InChIKeyPFZZTLNMRWEDFG-UHFFFAOYSA-N
XLogP3.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.40
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-(hydroxymethyl)phenyl]carbamothioyl]-2-phenylacetamide
CID 3305913
3-[(2-phenylacetyl)carbamothioylamino]benzamide
CID 26160937
2-(4-chlorophenyl)-N-[(3-hydroxyphenyl)carbamothioyl]acetamide
CID 4939207
N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide
CID 3875315
1-(3-chlorophenyl)-3-(3-phenylpropanoylamino)thiourea
CID 9480196
3-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]benzamide
CID 26160978
2-phenyl-N-[3-(phenylcarbamothioylamino)phenyl]acetamide
CID 17235513
2-phenyl-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide
CID 17142302
N-[(4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide
CID 916513
3-chloro-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 17223177
4-[(2-phenylacetyl)carbamothioylamino]benzamide
CID 916512
1-carbamothioyl-3-(3-chlorophenyl)thiourea
CID 12932383

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)carbamothioyl]-2-phenylacetamide?
The IUPAC name of N-[(3-chlorophenyl)carbamothioyl]-2-phenylacetamide (CID 916501) is N-[(3-chlorophenyl)carbamothioyl]-2-phenylacetamide.
What is the SMILES notation for N-[(3-chlorophenyl)carbamothioyl]-2-phenylacetamide?
The canonical SMILES for N-[(3-chlorophenyl)carbamothioyl]-2-phenylacetamide is O=C(Cc1ccccc1)NC(=S)Nc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)carbamothioyl]-2-phenylacetamide?
The InChIKey is PFZZTLNMRWEDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c16-12-7-4-8-13(10-12)17-15(20)18-14(19)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,17,18,19,20).
What are the key properties of N-[(3-chlorophenyl)carbamothioyl]-2-phenylacetamide?
N-[(3-chlorophenyl)carbamothioyl]-2-phenylacetamide has a molecular weight of 304.80 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)carbamothioyl]-2-phenylacetamide is sourced from PubChem (CID 916501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).