N'-(3-chlorophenyl)-5-(4-chlorophenyl)thiophene-2-carbohydrazide

C17H12Cl2N2OS — CID 43009139

IUPACN'-(3-chlorophenyl)-5-(4-chlorophenyl)thiophene-2-carbohydrazide
SMILESO=C(NNc1cccc(Cl)c1)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C17H12Cl2N2OS/c18-12-6-4-11(5-7-12)15-8-9-16(23-15)17(22)21-20-14-3-1-2-13(19)10-14/h1-10,20H,(H,21,22)
InChIKeyLUCXKWIAMYOQQX-UHFFFAOYSA-N
MW363.27 g/mol
LogP5.48
Rot. Bonds4

About N'-(3-chlorophenyl)-5-(4-chlorophenyl)thiophene-2-carbohydrazide

N'-(3-chlorophenyl)-5-(4-chlorophenyl)thiophene-2-carbohydrazide (PubChem CID 43009139) has the molecular formula C17H12Cl2N2OS and a molecular weight of 363.27 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-5-(4-chlorophenyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-5-(4-chlorophenyl)thiophene-2-carbohydrazide
PubChem CID43009139
Molecular FormulaC17H12Cl2N2OS
Molecular Weight363.27 g/mol
Exact Mass362.00
IUPAC NameN'-(3-chlorophenyl)-5-(4-chlorophenyl)thiophene-2-carbohydrazide
SMILESO=C(NNc1cccc(Cl)c1)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C17H12Cl2N2OS/c18-12-6-4-11(5-7-12)15-8-9-16(23-15)17(22)21-20-14-3-1-2-13(19)10-14/h1-10,20H,(H,21,22)
InChIKeyLUCXKWIAMYOQQX-UHFFFAOYSA-N
XLogP5.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.27
LogP ≤ 55.48
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

(3-chloroanilino)carbamic acid
CID 23031912
N-[3-(2-amino-2-oxoethoxy)phenyl]-5-(4-chlorophenyl)thiophene-2-carboxamide
CID 18155395
1-[5-(3-chlorophenyl)thiophen-2-yl]ethanone
CID 4190812
N-(4-chlorophenyl)-5-pyridin-4-ylthiophene-2-carboxamide
CID 11493386
N-(1,3-benzodioxol-5-yl)-5-(4-chlorophenyl)thiophene-2-carboxamide
CID 26718880
N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide
CID 4810608
N,5-diphenylthiophene-2-carboxamide
CID 3746437
5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 18145657
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)thiophene-2-carboxamide;hydrochloride
CID 119457422
5-(4-chlorophenyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 55724024
5-(4-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 46654582
3-amino-N'-(3-chlorophenyl)pyrazine-2-carbohydrazide
CID 43054084

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-5-(4-chlorophenyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(3-chlorophenyl)-5-(4-chlorophenyl)thiophene-2-carbohydrazide (CID 43009139) is N'-(3-chlorophenyl)-5-(4-chlorophenyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(3-chlorophenyl)-5-(4-chlorophenyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(3-chlorophenyl)-5-(4-chlorophenyl)thiophene-2-carbohydrazide is O=C(NNc1cccc(Cl)c1)c1ccc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of N'-(3-chlorophenyl)-5-(4-chlorophenyl)thiophene-2-carbohydrazide?
The InChIKey is LUCXKWIAMYOQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2OS/c18-12-6-4-11(5-7-12)15-8-9-16(23-15)17(22)21-20-14-3-1-2-13(19)10-14/h1-10,20H,(H,21,22).
What are the key properties of N'-(3-chlorophenyl)-5-(4-chlorophenyl)thiophene-2-carbohydrazide?
N'-(3-chlorophenyl)-5-(4-chlorophenyl)thiophene-2-carbohydrazide has a molecular weight of 363.27 g/mol, XLogP of 5.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-5-(4-chlorophenyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 43009139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).