N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-5-methylthiophene-2-carbohydrazide

C18H19ClN2O2S — CID 56799159

IUPACN'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-5-methylthiophene-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C2(c3cccc(Cl)c3)CCCC2)s1
InChIInChI=1S/C18H19ClN2O2S/c1-12-7-8-15(24-12)16(22)20-21-17(23)18(9-2-3-10-18)13-5-4-6-14(19)11-13/h4-8,11H,2-3,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyZVNRXYCPLYJCTC-UHFFFAOYSA-N
MW362.88 g/mol
LogP3.98
Rot. Bonds3

About N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-5-methylthiophene-2-carbohydrazide

N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-5-methylthiophene-2-carbohydrazide (PubChem CID 56799159) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-5-methylthiophene-2-carbohydrazide
PubChem CID56799159
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC NameN'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-5-methylthiophene-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C2(c3cccc(Cl)c3)CCCC2)s1
InChIInChI=1S/C18H19ClN2O2S/c1-12-7-8-15(24-12)16(22)20-21-17(23)18(9-2-3-10-18)13-5-4-6-14(19)11-13/h4-8,11H,2-3,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyZVNRXYCPLYJCTC-UHFFFAOYSA-N
XLogP3.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chlorobenzoyl)-5-methylthiophene-2-carbohydrazide
CID 27604628
N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-1H-pyrrole-2-carbohydrazide
CID 78872634
N'-[1-(3-chlorophenyl)cyclopropanecarbonyl]-3-(dimethylamino)benzohydrazide
CID 35709086
N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide
CID 4810608
1-(3-chlorophenyl)-N-prop-2-ynylcyclohexane-1-carboxamide
CID 47150754
1-(3-chlorophenyl)cyclopentane-1-carboxylate
CID 26365664
N'-(5-methylthiophene-2-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 31845773
N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide
CID 46451340
1-(3-chlorophenyl)-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 78857739
1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542537
1-[1-(3-chlorophenyl)cyclobutyl]propane-1,2-dione
CID 122222520
1-(3-chlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]cyclobutane-1-carbohydrazide
CID 134018216

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-5-methylthiophene-2-carbohydrazide?
The IUPAC name of N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-5-methylthiophene-2-carbohydrazide (CID 56799159) is N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-5-methylthiophene-2-carbohydrazide is Cc1ccc(C(=O)NNC(=O)C2(c3cccc(Cl)c3)CCCC2)s1.
What is the InChIKey of N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-5-methylthiophene-2-carbohydrazide?
The InChIKey is ZVNRXYCPLYJCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c1-12-7-8-15(24-12)16(22)20-21-17(23)18(9-2-3-10-18)13-5-4-6-14(19)11-13/h4-8,11H,2-3,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-5-methylthiophene-2-carbohydrazide?
N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-5-methylthiophene-2-carbohydrazide has a molecular weight of 362.88 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 56799159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).