N-[(2-chlorophenyl)carbamothioyl]-2,2-dimethylpropanamide

C12H15ClN2OS — CID 732169

IUPACN-[(2-chlorophenyl)carbamothioyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(=S)Nc1ccccc1Cl
InChIInChI=1S/C12H15ClN2OS/c1-12(2,3)10(16)15-11(17)14-9-7-5-4-6-8(9)13/h4-7H,1-3H3,(H2,14,15,16,17)
InChIKeyODZQUQXLZURZDR-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.20
Rot. Bonds1

About N-[(2-chlorophenyl)carbamothioyl]-2,2-dimethylpropanamide

N-[(2-chlorophenyl)carbamothioyl]-2,2-dimethylpropanamide (PubChem CID 732169) has the molecular formula C12H15ClN2OS and a molecular weight of 270.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)carbamothioyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)carbamothioyl]-2,2-dimethylpropanamide
PubChem CID732169
Molecular FormulaC12H15ClN2OS
Molecular Weight270.78 g/mol
Exact Mass270.06
IUPAC NameN-[(2-chlorophenyl)carbamothioyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(=S)Nc1ccccc1Cl
InChIInChI=1S/C12H15ClN2OS/c1-12(2,3)10(16)15-11(17)14-9-7-5-4-6-8(9)13/h4-7H,1-3H3,(H2,14,15,16,17)
InChIKeyODZQUQXLZURZDR-UHFFFAOYSA-N
XLogP3.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.20
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-(2,2-dimethylpropanoylcarbamothioylamino)-N-methylbenzamide
CID 17354115
2,2-dichloro-N-(2-chlorophenyl)-4,4-dimethyl-3-oxopentanamide
CID 3277317
N-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)carbamothioyl]-2,2-dimethylpropanamide
CID 17099775
N-tert-butyl-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108965988
N-(2-chlorophenyl)-2-methyl-2-(methylamino)propanamide
CID 62835426
1-(2-chlorophenyl)-3-(3-hydroxy-2-methylbutan-2-yl)urea
CID 113342006
2,6-dichloro-N-[(2-chlorophenyl)carbamothioyl]pyridine-4-carboxamide
CID 2774104
O-methyl N-(2-chlorophenyl)carbamothioate
CID 2741365
N-[[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-2,2-dimethylpropanamide
CID 28686820
[2-[(2-chlorophenyl)carbamothioylcarbamoyl]phenyl] acetate
CID 71388857
N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287271
N-[N'-(2-chlorophenyl)-N-(2-methoxyphenyl)carbamimidoyl]-2,2-dimethylpropanamide
CID 137086340

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)carbamothioyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2-chlorophenyl)carbamothioyl]-2,2-dimethylpropanamide (CID 732169) is N-[(2-chlorophenyl)carbamothioyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2-chlorophenyl)carbamothioyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2-chlorophenyl)carbamothioyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC(=S)Nc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)carbamothioyl]-2,2-dimethylpropanamide?
The InChIKey is ODZQUQXLZURZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c1-12(2,3)10(16)15-11(17)14-9-7-5-4-6-8(9)13/h4-7H,1-3H3,(H2,14,15,16,17).
What are the key properties of N-[(2-chlorophenyl)carbamothioyl]-2,2-dimethylpropanamide?
N-[(2-chlorophenyl)carbamothioyl]-2,2-dimethylpropanamide has a molecular weight of 270.78 g/mol, XLogP of 3.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)carbamothioyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 732169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).