N-(5-carbamothioyl-2-chlorophenyl)-2-methylcyclopentane-1-carboxamide

C14H17ClN2OS — CID 107178798

IUPACN-(5-carbamothioyl-2-chlorophenyl)-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)Nc1cc(C(N)=S)ccc1Cl
InChIInChI=1S/C14H17ClN2OS/c1-8-3-2-4-10(8)14(18)17-12-7-9(13(16)19)5-6-11(12)15/h5-8,10H,2-4H2,1H3,(H2,16,19)(H,17,18)
InChIKeySYNVYBPNXCFBDV-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.35
Rot. Bonds3

About N-(5-carbamothioyl-2-chlorophenyl)-2-methylcyclopentane-1-carboxamide

N-(5-carbamothioyl-2-chlorophenyl)-2-methylcyclopentane-1-carboxamide (PubChem CID 107178798) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is N-(5-carbamothioyl-2-chlorophenyl)-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(5-carbamothioyl-2-chlorophenyl)-2-methylcyclopentane-1-carboxamide
PubChem CID107178798
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC NameN-(5-carbamothioyl-2-chlorophenyl)-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)Nc1cc(C(N)=S)ccc1Cl
InChIInChI=1S/C14H17ClN2OS/c1-8-3-2-4-10(8)14(18)17-12-7-9(13(16)19)5-6-11(12)15/h5-8,10H,2-4H2,1H3,(H2,16,19)(H,17,18)
InChIKeySYNVYBPNXCFBDV-UHFFFAOYSA-N
XLogP3.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.35
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-(4-carbamothioyl-2-methoxyphenyl)-2-methylcyclopentane-1-carboxamide
CID 107178813
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 107181329
4-chloro-3-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
CID 24688502
N-(2-chloro-4-sulfamoylphenyl)-2-methylcyclopentane-1-carboxamide
CID 107180012
N-(2-bromo-3-chlorophenyl)-2-methylcyclopentane-1-carboxamide
CID 103578301
N-(4-carbamothioyl-2-chlorophenyl)-4-methylcyclohexane-1-carboxamide
CID 107808533
4-chloro-3-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 107067888
2-(aminomethyl)-N-(2-chloro-5-methylphenyl)cyclopentane-1-carboxamide
CID 113269199
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-2-methylcyclopentane-1-carboxamide
CID 107182858
4-chloro-3-[(2-methylcyclopentyl)sulfamoyl]benzenecarbothioamide
CID 80704139
N-(5-carbamothioyl-2-chlorophenyl)-2-(thian-4-yl)acetamide
CID 83137569
N-(6-chloro-2-methyl-3-pyridinyl)-2-methylcyclopentane-1-carboxamide
CID 107301087

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamothioyl-2-chlorophenyl)-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(5-carbamothioyl-2-chlorophenyl)-2-methylcyclopentane-1-carboxamide (CID 107178798) is N-(5-carbamothioyl-2-chlorophenyl)-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(5-carbamothioyl-2-chlorophenyl)-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(5-carbamothioyl-2-chlorophenyl)-2-methylcyclopentane-1-carboxamide is CC1CCCC1C(=O)Nc1cc(C(N)=S)ccc1Cl.
What is the InChIKey of N-(5-carbamothioyl-2-chlorophenyl)-2-methylcyclopentane-1-carboxamide?
The InChIKey is SYNVYBPNXCFBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-8-3-2-4-10(8)14(18)17-12-7-9(13(16)19)5-6-11(12)15/h5-8,10H,2-4H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of N-(5-carbamothioyl-2-chlorophenyl)-2-methylcyclopentane-1-carboxamide?
N-(5-carbamothioyl-2-chlorophenyl)-2-methylcyclopentane-1-carboxamide has a molecular weight of 296.82 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamothioyl-2-chlorophenyl)-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 107178798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).