4-chloro-N-[(2S)-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]benzamide

C15H14ClN3O3S — CID 7987377

IUPAC4-chloro-N-[(2S)-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C15H14ClN3O3S/c1-9(17-14(21)10-4-6-11(16)7-5-10)13(20)18-19-15(22)12-3-2-8-23-12/h2-9H,1H3,(H,17,21)(H,18,20)(H,19,22)/t9-/m0/s1
InChIKeyHDZBTHRYIRTFLG-VIFPVBQESA-N
MW351.82 g/mol
LogP1.98
Rot. Bonds4

About 4-chloro-N-[(2S)-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]benzamide

4-chloro-N-[(2S)-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]benzamide (PubChem CID 7987377) has the molecular formula C15H14ClN3O3S and a molecular weight of 351.82 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]benzamide
PubChem CID7987377
Molecular FormulaC15H14ClN3O3S
Molecular Weight351.82 g/mol
Exact Mass351.04
IUPAC Name4-chloro-N-[(2S)-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C15H14ClN3O3S/c1-9(17-14(21)10-4-6-11(16)7-5-10)13(20)18-19-15(22)12-3-2-8-23-12/h2-9H,1H3,(H,17,21)(H,18,20)(H,19,22)/t9-/m0/s1
InChIKeyHDZBTHRYIRTFLG-VIFPVBQESA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[(2S)-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[(2S)-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]benzamide (CID 7987377) is 4-chloro-N-[(2S)-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2S)-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(2S)-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]benzamide is C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1cccs1.
What is the InChIKey of 4-chloro-N-[(2S)-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]benzamide?
The InChIKey is HDZBTHRYIRTFLG-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14ClN3O3S/c1-9(17-14(21)10-4-6-11(16)7-5-10)13(20)18-19-15(22)12-3-2-8-23-12/h2-9H,1H3,(H,17,21)(H,18,20)(H,19,22)/t9-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]benzamide?
4-chloro-N-[(2S)-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]benzamide has a molecular weight of 351.82 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]benzamide is sourced from PubChem (CID 7987377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).