N-[(2S)-1-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide

C19H23N3O3S — CID 9157792

IUPACN-[(2S)-1-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCCc1sc(C(=O)NNC(=O)[C@H](C)NC(=O)c2cccc(C)c2)cc1C
InChIInChI=1S/C19H23N3O3S/c1-5-15-12(3)10-16(26-15)19(25)22-21-17(23)13(4)20-18(24)14-8-6-7-11(2)9-14/h6-10,13H,5H2,1-4H3,(H,20,24)(H,21,23)(H,22,25)/t13-/m0/s1
InChIKeyVTDFJXDXJGEWEX-ZDUSSCGKSA-N
MW373.48 g/mol
LogP2.51
Rot. Bonds5

About N-[(2S)-1-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide

N-[(2S)-1-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide (PubChem CID 9157792) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[(2S)-1-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide
PubChem CID9157792
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[(2S)-1-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCCc1sc(C(=O)NNC(=O)[C@H](C)NC(=O)c2cccc(C)c2)cc1C
InChIInChI=1S/C19H23N3O3S/c1-5-15-12(3)10-16(26-15)19(25)22-21-17(23)13(4)20-18(24)14-8-6-7-11(2)9-14/h6-10,13H,5H2,1-4H3,(H,20,24)(H,21,23)(H,22,25)/t13-/m0/s1
InChIKeyVTDFJXDXJGEWEX-ZDUSSCGKSA-N
XLogP2.51
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2S)-1-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 25433723
N'-(2,4-dimethylbenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 43004050
N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 9366850
3-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]carbamoyl]-N-methylbenzenesulfonamide
CID 4793839
N-[(2S)-1-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 9425095
N-[(2S)-1-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 9326208
N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]-3-methylbenzamide
CID 9179483
N-[(2S)-1-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 31728650
5-ethyl-N'-(3-methoxy-4-methylbenzoyl)-4-methylthiophene-2-carbohydrazide
CID 9091421
N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9418338
N-[(2S)-1-aminopropan-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 120506339
N-[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 78771996

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[(2S)-1-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide (CID 9157792) is N-[(2S)-1-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[(2S)-1-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[(2S)-1-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide is CCc1sc(C(=O)NNC(=O)[C@H](C)NC(=O)c2cccc(C)c2)cc1C.
What is the InChIKey of N-[(2S)-1-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide?
The InChIKey is VTDFJXDXJGEWEX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-5-15-12(3)10-16(26-15)19(25)22-21-17(23)13(4)20-18(24)14-8-6-7-11(2)9-14/h6-10,13H,5H2,1-4H3,(H,20,24)(H,21,23)(H,22,25)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide?
N-[(2S)-1-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide has a molecular weight of 373.48 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 9157792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).