N-(2-carbamothioyl-6-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide

C14H18N2O2S — CID 107468539

IUPACN-(2-carbamothioyl-6-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCOc1cccc(C(N)=S)c1NC(=O)C1CC1(C)C
InChIInChI=1S/C14H18N2O2S/c1-14(2)7-9(14)13(17)16-11-8(12(15)19)5-4-6-10(11)18-3/h4-6,9H,7H2,1-3H3,(H2,15,19)(H,16,17)
InChIKeyMFWSNIBZKXSPLX-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.31
Rot. Bonds4

About N-(2-carbamothioyl-6-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide

N-(2-carbamothioyl-6-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 107468539) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(2-carbamothioyl-6-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-6-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID107468539
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(2-carbamothioyl-6-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCOc1cccc(C(N)=S)c1NC(=O)C1CC1(C)C
InChIInChI=1S/C14H18N2O2S/c1-14(2)7-9(14)13(17)16-11-8(12(15)19)5-4-6-10(11)18-3/h4-6,9H,7H2,1-3H3,(H2,15,19)(H,16,17)
InChIKeyMFWSNIBZKXSPLX-UHFFFAOYSA-N
XLogP2.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-carbamothioyl-6-methoxyphenyl)-2,2-dimethylcyclopropane-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

N-(2-carbamothioyl-6-methoxyphenyl)oxolane-3-carboxamide
CID 107468521
N-(2-carbamothioyl-6-methoxyphenyl)-2-methyloxolane-3-carboxamide
CID 107468432
1-(2-carbamothioyl-6-methoxyphenyl)-3-phenylurea
CID 107468600
N-(2-carbamothioyl-6-methoxyphenyl)-2-methylbutanamide
CID 107468545
N-(2-carbamothioyl-6-methoxyphenyl)-5-ethylfuran-2-carboxamide
CID 107468459
N-(2-carbamothioyl-6-methoxyphenyl)-3-methylpentanamide
CID 107468443
N-(2-carbamothioyl-6-methoxyphenyl)-2-methylpentanamide
CID 107468418
(2,2-dimethylcyclopropyl)-(2-methoxyphenyl)methanone
CID 107003800
2-(cyclohexylsulfonylamino)-3-methoxybenzenecarbothioamide
CID 107468655
N-(2-carbamothioyl-6-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 107468410
N-(2-acetyl-6-methoxyphenyl)acetamide
CID 117295660
N-(3-carbamothioyl-4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107001572

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-6-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-carbamothioyl-6-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 107468539) is N-(2-carbamothioyl-6-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-carbamothioyl-6-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-carbamothioyl-6-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide is COc1cccc(C(N)=S)c1NC(=O)C1CC1(C)C.
What is the InChIKey of N-(2-carbamothioyl-6-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is MFWSNIBZKXSPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-14(2)7-9(14)13(17)16-11-8(12(15)19)5-4-6-10(11)18-3/h4-6,9H,7H2,1-3H3,(H2,15,19)(H,16,17).
What are the key properties of N-(2-carbamothioyl-6-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
N-(2-carbamothioyl-6-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-6-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 107468539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).