3-chloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-1-benzothiophene-2-carboxamide

C17H14ClN3O4S — CID 9472674

IUPAC3-chloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-1-benzothiophene-2-carboxamide
SMILESCc1occc1C(=O)NNC(=O)CNC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C17H14ClN3O4S/c1-9-10(6-7-25-9)16(23)21-20-13(22)8-19-17(24)15-14(18)11-4-2-3-5-12(11)26-15/h2-7H,8H2,1H3,(H,19,24)(H,20,22)(H,21,23)
InChIKeyZZIYJAFKZDZISU-UHFFFAOYSA-N
MW391.84 g/mol
LogP2.65
Rot. Bonds4

About 3-chloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-1-benzothiophene-2-carboxamide (PubChem CID 9472674) has the molecular formula C17H14ClN3O4S and a molecular weight of 391.84 g/mol. Its IUPAC name is 3-chloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-1-benzothiophene-2-carboxamide
PubChem CID9472674
Molecular FormulaC17H14ClN3O4S
Molecular Weight391.84 g/mol
Exact Mass391.04
IUPAC Name3-chloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-1-benzothiophene-2-carboxamide
SMILESCc1occc1C(=O)NNC(=O)CNC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C17H14ClN3O4S/c1-9-10(6-7-25-9)16(23)21-20-13(22)8-19-17(24)15-14(18)11-4-2-3-5-12(11)26-15/h2-7H,8H2,1H3,(H,19,24)(H,20,22)(H,21,23)
InChIKeyZZIYJAFKZDZISU-UHFFFAOYSA-N
XLogP2.65
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.84
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-1-benzothiophene-2-carboxamide
CID 31837609
3-chloro-N-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 9303925
ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 2166794
3-chloro-N-[[4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 5225240
3-chloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 1080679
(2-methylphenyl)methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 16577291
3-chloro-N-[2-(2-methoxyanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 3937071
N-benzyl-3-chloro-1-benzothiophene-2-carboxamide
CID 675718
2,4-dichloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 9472501
3-chloro-N-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 29304330
3-chloro-N'-(2-naphthalen-1-ylacetyl)-1-benzothiophene-2-carbohydrazide
CID 3396225
1-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-3-phenylurea
CID 34027065

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-1-benzothiophene-2-carboxamide (CID 9472674) is 3-chloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-1-benzothiophene-2-carboxamide is Cc1occc1C(=O)NNC(=O)CNC(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is ZZIYJAFKZDZISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4S/c1-9-10(6-7-25-9)16(23)21-20-13(22)8-19-17(24)15-14(18)11-4-2-3-5-12(11)26-15/h2-7H,8H2,1H3,(H,19,24)(H,20,22)(H,21,23).
What are the key properties of 3-chloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 391.84 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 9472674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).