N-(4-carbamothioyl-2-methoxyphenyl)-2-methylcyclopentane-1-carboxamide

C15H20N2O2S — CID 107178813

IUPACN-(4-carbamothioyl-2-methoxyphenyl)-2-methylcyclopentane-1-carboxamide
SMILESCOc1cc(C(N)=S)ccc1NC(=O)C1CCCC1C
InChIInChI=1S/C15H20N2O2S/c1-9-4-3-5-11(9)15(18)17-12-7-6-10(14(16)20)8-13(12)19-2/h6-9,11H,3-5H2,1-2H3,(H2,16,20)(H,17,18)
InChIKeyVAMKBTYRWSHEIR-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.70
Rot. Bonds4

About N-(4-carbamothioyl-2-methoxyphenyl)-2-methylcyclopentane-1-carboxamide

N-(4-carbamothioyl-2-methoxyphenyl)-2-methylcyclopentane-1-carboxamide (PubChem CID 107178813) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(4-carbamothioyl-2-methoxyphenyl)-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-2-methoxyphenyl)-2-methylcyclopentane-1-carboxamide
PubChem CID107178813
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-(4-carbamothioyl-2-methoxyphenyl)-2-methylcyclopentane-1-carboxamide
SMILESCOc1cc(C(N)=S)ccc1NC(=O)C1CCCC1C
InChIInChI=1S/C15H20N2O2S/c1-9-4-3-5-11(9)15(18)17-12-7-6-10(14(16)20)8-13(12)19-2/h6-9,11H,3-5H2,1-2H3,(H2,16,20)(H,17,18)
InChIKeyVAMKBTYRWSHEIR-UHFFFAOYSA-N
XLogP2.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-2-methylcyclopentane-1-carboxamide
CID 107182858
N-(5-carbamothioyl-2-chlorophenyl)-2-methylcyclopentane-1-carboxamide
CID 107178798
N-(4-carbamothioyl-2-methoxyphenyl)oxane-3-carboxamide
CID 104849448
2-hydroxy-N-(2-methoxy-4-methylphenyl)cyclopentane-1-carboxamide
CID 110015372
2-hydroxy-N-(2-methoxyphenyl)cyclopentane-1-carboxamide
CID 110013580
4-(carbamothioylamino)-3-methoxybenzoic acid
CID 91875438
1-(4-carbamothioyl-2-methoxyphenyl)-3-propylurea
CID 104849466
4-(cyclopropylsulfamoylamino)-3-methoxybenzenecarbothioamide
CID 114808530
4-(cyclopropylmethylsulfonylamino)-3-methoxybenzenecarbothioamide
CID 104849504
3-[(2-methylcyclopentanecarbonyl)amino]pyridine-2-carboxylic acid
CID 107175917
N-(4-acetamido-3-methoxyphenyl)-2-aminocyclopentane-1-carboxamide
CID 64824304
N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide
CID 3502281

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-2-methoxyphenyl)-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(4-carbamothioyl-2-methoxyphenyl)-2-methylcyclopentane-1-carboxamide (CID 107178813) is N-(4-carbamothioyl-2-methoxyphenyl)-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-carbamothioyl-2-methoxyphenyl)-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(4-carbamothioyl-2-methoxyphenyl)-2-methylcyclopentane-1-carboxamide is COc1cc(C(N)=S)ccc1NC(=O)C1CCCC1C.
What is the InChIKey of N-(4-carbamothioyl-2-methoxyphenyl)-2-methylcyclopentane-1-carboxamide?
The InChIKey is VAMKBTYRWSHEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-9-4-3-5-11(9)15(18)17-12-7-6-10(14(16)20)8-13(12)19-2/h6-9,11H,3-5H2,1-2H3,(H2,16,20)(H,17,18).
What are the key properties of N-(4-carbamothioyl-2-methoxyphenyl)-2-methylcyclopentane-1-carboxamide?
N-(4-carbamothioyl-2-methoxyphenyl)-2-methylcyclopentane-1-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-2-methoxyphenyl)-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 107178813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).