N-(4-carbamothioyl-2-chlorophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C15H19ClN2OS — CID 107808560

IUPACN-(4-carbamothioyl-2-chlorophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)Nc2ccc(C(N)=S)cc2Cl)C1(C)C
InChIInChI=1S/C15H19ClN2OS/c1-14(2)11(15(14,3)4)13(19)18-10-6-5-8(12(17)20)7-9(10)16/h5-7,11H,1-4H3,(H2,17,20)(H,18,19)
InChIKeyJIAIFMAEXOKYGX-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.59
Rot. Bonds3

About N-(4-carbamothioyl-2-chlorophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-(4-carbamothioyl-2-chlorophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 107808560) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is N-(4-carbamothioyl-2-chlorophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-2-chlorophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID107808560
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC NameN-(4-carbamothioyl-2-chlorophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)Nc2ccc(C(N)=S)cc2Cl)C1(C)C
InChIInChI=1S/C15H19ClN2OS/c1-14(2)11(15(14,3)4)13(19)18-10-6-5-8(12(17)20)7-9(10)16/h5-7,11H,1-4H3,(H2,17,20)(H,18,19)
InChIKeyJIAIFMAEXOKYGX-UHFFFAOYSA-N
XLogP3.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(4-carbamothioyl-2-chlorophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-carbamothioyl-2-chlorophenyl)urea
CID 107808654
N-(4-carbamothioyl-2-chlorophenyl)-4-methylcyclohexane-1-carboxamide
CID 107808533
N-(2-chloro-4-sulfamoylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475777
N-(4-carbamothioyl-2-chlorophenyl)thiolane-2-carboxamide
CID 114003509
N-(4-carbamothioyl-2-chlorophenyl)-4-ethylbenzamide
CID 107808338
N-(4-carbamothioyl-2-chlorophenyl)-4-methylpentanamide
CID 114003499
N-(4-carbamothioyl-2-chlorophenyl)-4-methoxybenzamide
CID 107808544
2-bromo-N-(4-carbamothioyl-2-chlorophenyl)-3-methylbenzamide
CID 107982299
N-(2-carbamothioylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477465
N-(4-carbamothioyl-2-chlorophenyl)-3-chloro-2-fluorobenzamide
CID 107808358
1-butyl-3-(4-carbamothioyl-2-chlorophenyl)urea
CID 107808646
3-chloro-4-(2,2-dimethylpropylamino)benzenecarbothioamide
CID 63087278

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-2-chlorophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-carbamothioyl-2-chlorophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 107808560) is N-(4-carbamothioyl-2-chlorophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-carbamothioyl-2-chlorophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-carbamothioyl-2-chlorophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CC1(C)C(C(=O)Nc2ccc(C(N)=S)cc2Cl)C1(C)C.
What is the InChIKey of N-(4-carbamothioyl-2-chlorophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is JIAIFMAEXOKYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-14(2)11(15(14,3)4)13(19)18-10-6-5-8(12(17)20)7-9(10)16/h5-7,11H,1-4H3,(H2,17,20)(H,18,19).
What are the key properties of N-(4-carbamothioyl-2-chlorophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-(4-carbamothioyl-2-chlorophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 310.85 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-2-chlorophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 107808560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).