3-chloro-N'-[3-(2-methoxyphenyl)prop-2-enoyl]-1-benzothiophene-2-carbohydrazide

C19H15ClN2O3S — CID 5109357

IUPAC3-chloro-N'-[3-(2-methoxyphenyl)prop-2-enoyl]-1-benzothiophene-2-carbohydrazide
SMILESCOc1ccccc1C=CC(=O)NNC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C19H15ClN2O3S/c1-25-14-8-4-2-6-12(14)10-11-16(23)21-22-19(24)18-17(20)13-7-3-5-9-15(13)26-18/h2-11H,1H3,(H,21,23)(H,22,24)
InChIKeyYOPQMAHCIHHWEC-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.04
Rot. Bonds4

About 3-chloro-N'-[3-(2-methoxyphenyl)prop-2-enoyl]-1-benzothiophene-2-carbohydrazide

3-chloro-N'-[3-(2-methoxyphenyl)prop-2-enoyl]-1-benzothiophene-2-carbohydrazide (PubChem CID 5109357) has the molecular formula C19H15ClN2O3S and a molecular weight of 386.86 g/mol. Its IUPAC name is 3-chloro-N'-[3-(2-methoxyphenyl)prop-2-enoyl]-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-chloro-N'-[3-(2-methoxyphenyl)prop-2-enoyl]-1-benzothiophene-2-carbohydrazide
PubChem CID5109357
Molecular FormulaC19H15ClN2O3S
Molecular Weight386.86 g/mol
Exact Mass386.05
IUPAC Name3-chloro-N'-[3-(2-methoxyphenyl)prop-2-enoyl]-1-benzothiophene-2-carbohydrazide
SMILESCOc1ccccc1C=CC(=O)NNC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C19H15ClN2O3S/c1-25-14-8-4-2-6-12(14)10-11-16(23)21-22-19(24)18-17(20)13-7-3-5-9-15(13)26-18/h2-11H,1H3,(H,21,23)(H,22,24)
InChIKeyYOPQMAHCIHHWEC-UHFFFAOYSA-N
XLogP4.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-1-benzothiophene-2-carbohydrazide
CID 6297669
4-[2-(3-chloro-1-benzothiophene-2-carbonyl)hydrazinyl]-4-oxobut-2-enoic acid
CID 2803219
4-methoxy-N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]benzohydrazide
CID 926990
3-chloro-N-[2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 6114595
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
3-chloro-N'-(3-methoxy-4-propoxybenzoyl)-1-benzothiophene-2-carbohydrazide
CID 43004085
N'-[3-(2,3-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 4789480
2-methoxy-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide
CID 4922573
3-chloro-N-[2-methoxy-6-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 18376667
3-chloro-N-[2-(2-methoxyanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 3937071
3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 2564536
2-[3-(2-methoxyphenyl)prop-2-enoylamino]acetyl chloride
CID 57046657

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-[3-(2-methoxyphenyl)prop-2-enoyl]-1-benzothiophene-2-carbohydrazide?
The IUPAC name of 3-chloro-N'-[3-(2-methoxyphenyl)prop-2-enoyl]-1-benzothiophene-2-carbohydrazide (CID 5109357) is 3-chloro-N'-[3-(2-methoxyphenyl)prop-2-enoyl]-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for 3-chloro-N'-[3-(2-methoxyphenyl)prop-2-enoyl]-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for 3-chloro-N'-[3-(2-methoxyphenyl)prop-2-enoyl]-1-benzothiophene-2-carbohydrazide is COc1ccccc1C=CC(=O)NNC(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N'-[3-(2-methoxyphenyl)prop-2-enoyl]-1-benzothiophene-2-carbohydrazide?
The InChIKey is YOPQMAHCIHHWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3S/c1-25-14-8-4-2-6-12(14)10-11-16(23)21-22-19(24)18-17(20)13-7-3-5-9-15(13)26-18/h2-11H,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-chloro-N'-[3-(2-methoxyphenyl)prop-2-enoyl]-1-benzothiophene-2-carbohydrazide?
3-chloro-N'-[3-(2-methoxyphenyl)prop-2-enoyl]-1-benzothiophene-2-carbohydrazide has a molecular weight of 386.86 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-[3-(2-methoxyphenyl)prop-2-enoyl]-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 5109357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).