2-benzamido-N-[3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide

C24H24N4O4S — CID 3666932

IUPAC2-benzamido-N-[3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C24H24N4O4S/c1-15(2)20(24(32)28-27-23(31)19-13-8-14-33-19)26-22(30)17-11-6-7-12-18(17)25-21(29)16-9-4-3-5-10-16/h3-15,20H,1-2H3,(H,25,29)(H,26,30)(H,27,31)(H,28,32)
InChIKeyITEPYBODOLASNS-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.22
Rot. Bonds7

About 2-benzamido-N-[3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide

2-benzamido-N-[3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide (PubChem CID 3666932) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is 2-benzamido-N-[3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide.

Molecular Properties

Compound Name2-benzamido-N-[3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
PubChem CID3666932
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC Name2-benzamido-N-[3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C24H24N4O4S/c1-15(2)20(24(32)28-27-23(31)19-13-8-14-33-19)26-22(30)17-11-6-7-12-18(17)25-21(29)16-9-4-3-5-10-16/h3-15,20H,1-2H3,(H,25,29)(H,26,30)(H,27,31)(H,28,32)
InChIKeyITEPYBODOLASNS-UHFFFAOYSA-N
XLogP3.22
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxybenzoyl)amino]-N-[1-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3123973
2-benzamido-N-[1-(2-benzoylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide
CID 3455596
2,4-dichloro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
CID 7613237
2-benzamido-N-[(2R)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 1340022
N-[2-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 25497398
2-benzamido-N-[(2S)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 41011047
N-[1-[2-(1H-indole-3-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 78804961
2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide
CID 3123966
N-[(2R)-1-anilino-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 1203053
N-[2-[[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 25490349
2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-[2-(2-phenoxyacetyl)hydrazinyl]butan-2-yl]benzamide
CID 3123980
N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
CID 3829740

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-[3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide?
The IUPAC name of 2-benzamido-N-[3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide (CID 3666932) is 2-benzamido-N-[3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide.
What is the SMILES notation for 2-benzamido-N-[3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide?
The canonical SMILES for 2-benzamido-N-[3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide is CC(C)C(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)c1cccs1.
What is the InChIKey of 2-benzamido-N-[3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide?
The InChIKey is ITEPYBODOLASNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-15(2)20(24(32)28-27-23(31)19-13-8-14-33-19)26-22(30)17-11-6-7-12-18(17)25-21(29)16-9-4-3-5-10-16/h3-15,20H,1-2H3,(H,25,29)(H,26,30)(H,27,31)(H,28,32).
What are the key properties of 2-benzamido-N-[3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide?
2-benzamido-N-[3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide has a molecular weight of 464.55 g/mol, XLogP of 3.22, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-[3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide is sourced from PubChem (CID 3666932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).