N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide

C18H21N3O3S — CID 4788028

IUPACN-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccs2)cc1
InChIInChI=1S/C18H21N3O3S/c1-18(2,3)13-8-6-12(7-9-13)16(23)21-20-15(22)11-19-17(24)14-5-4-10-25-14/h4-10H,11H2,1-3H3,(H,19,24)(H,20,22)(H,21,23)
InChIKeyYYSMBEFEPFNCMC-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.24
Rot. Bonds4

About N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 4788028) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID4788028
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccs2)cc1
InChIInChI=1S/C18H21N3O3S/c1-18(2,3)13-8-6-12(7-9-13)16(23)21-20-15(22)11-19-17(24)14-5-4-10-25-14/h4-10H,11H2,1-3H3,(H,19,24)(H,20,22)(H,21,23)
InChIKeyYYSMBEFEPFNCMC-UHFFFAOYSA-N
XLogP2.24
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.24
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-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (CID 4788028) is N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is CC(C)(C)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is YYSMBEFEPFNCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-18(2,3)13-8-6-12(7-9-13)16(23)21-20-15(22)11-19-17(24)14-5-4-10-25-14/h4-10H,11H2,1-3H3,(H,19,24)(H,20,22)(H,21,23).
What are the key properties of N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 4788028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).