N'-(3-chlorobenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide

C17H13ClN2O2S — CID 9086688

IUPACN'-(3-chlorobenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2cccc(Cl)c2)sc2ccccc12
InChIInChI=1S/C17H13ClN2O2S/c1-10-13-7-2-3-8-14(13)23-15(10)17(22)20-19-16(21)11-5-4-6-12(18)9-11/h2-9H,1H3,(H,19,21)(H,20,22)
InChIKeyNWTPBCAUJYKNKJ-UHFFFAOYSA-N
MW344.82 g/mol
LogP3.94
Rot. Bonds2

About N'-(3-chlorobenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide

N'-(3-chlorobenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide (PubChem CID 9086688) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is N'-(3-chlorobenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chlorobenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide
PubChem CID9086688
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC NameN'-(3-chlorobenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2cccc(Cl)c2)sc2ccccc12
InChIInChI=1S/C17H13ClN2O2S/c1-10-13-7-2-3-8-14(13)23-15(10)17(22)20-19-16(21)11-5-4-6-12(18)9-11/h2-9H,1H3,(H,19,21)(H,20,22)
InChIKeyNWTPBCAUJYKNKJ-UHFFFAOYSA-N
XLogP3.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 53.94
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'-(4-ethoxybenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide
CID 9086470
N'-(3-chlorobenzoyl)-5-methylthiophene-2-carbohydrazide
CID 27604628
N'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide
CID 7918365
N'-benzoyl-4-fluoro-3-methyl-1-benzothiophene-2-carbohydrazide
CID 18196797
3-chloro-N'-[3-(2-methylpropoxy)benzoyl]-1-benzothiophene-2-carbohydrazide
CID 17140420
4-bromo-1-methyl-N'-(3-methyl-1-benzothiophene-2-carbonyl)pyrrole-2-carbohydrazide
CID 24533035
ethyl N-[(3-chlorobenzoyl)amino]carbamate
CID 7979102
3-chloro-N'-[(2R)-2-chloropropanoyl]benzohydrazide
CID 25323385
N'-(3-chlorobenzoyl)-2,4-dimethylbenzohydrazide
CID 7601300
(Z)-3-(3,5-dichlorophenyl)-4,4,4-trifluoro-1-(3-methyl-1-benzothiophen-2-yl)but-2-en-1-one
CID 71042648
chloro 3-methyl-1-benzothiophene-2-carboxylate
CID 54436811
N'-tert-butyl-3-chlorobenzohydrazide
CID 15617772

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorobenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide?
The IUPAC name of N'-(3-chlorobenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide (CID 9086688) is N'-(3-chlorobenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for N'-(3-chlorobenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for N'-(3-chlorobenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide is Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)sc2ccccc12.
What is the InChIKey of N'-(3-chlorobenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide?
The InChIKey is NWTPBCAUJYKNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c1-10-13-7-2-3-8-14(13)23-15(10)17(22)20-19-16(21)11-5-4-6-12(18)9-11/h2-9H,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(3-chlorobenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide?
N'-(3-chlorobenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide has a molecular weight of 344.82 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorobenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 9086688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).