N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methylthiophene-2-carboxamide

C15H14ClN3O3S — CID 2808314

IUPACN-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCC(=O)NNC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C15H14ClN3O3S/c1-9-5-12(23-8-9)15(22)17-7-13(20)18-19-14(21)10-3-2-4-11(16)6-10/h2-6,8H,7H2,1H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeyGHJKCJWGKCVFCR-UHFFFAOYSA-N
MW351.82 g/mol
LogP1.90
Rot. Bonds4

About N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methylthiophene-2-carboxamide

N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methylthiophene-2-carboxamide (PubChem CID 2808314) has the molecular formula C15H14ClN3O3S and a molecular weight of 351.82 g/mol. Its IUPAC name is N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methylthiophene-2-carboxamide
PubChem CID2808314
Molecular FormulaC15H14ClN3O3S
Molecular Weight351.82 g/mol
Exact Mass351.04
IUPAC NameN-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCC(=O)NNC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C15H14ClN3O3S/c1-9-5-12(23-8-9)15(22)17-7-13(20)18-19-14(21)10-3-2-4-11(16)6-10/h2-6,8H,7H2,1H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeyGHJKCJWGKCVFCR-UHFFFAOYSA-N
XLogP1.90
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.82
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methylthiophene-2-carboxamide (CID 2808314) is N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NCC(=O)NNC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methylthiophene-2-carboxamide?
The InChIKey is GHJKCJWGKCVFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3S/c1-9-5-12(23-8-9)15(22)17-7-13(20)18-19-14(21)10-3-2-4-11(16)6-10/h2-6,8H,7H2,1H3,(H,17,22)(H,18,20)(H,19,21).
What are the key properties of N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methylthiophene-2-carboxamide?
N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methylthiophene-2-carboxamide has a molecular weight of 351.82 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 2808314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).