N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide

C17H18FN3O3S — CID 4789691

IUPACN-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
SMILESCCc1sc(C(=O)NNC(=O)CNC(=O)c2ccccc2F)cc1C
InChIInChI=1S/C17H18FN3O3S/c1-3-13-10(2)8-14(25-13)17(24)21-20-15(22)9-19-16(23)11-6-4-5-7-12(11)18/h4-8H,3,9H2,1-2H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyXVYBMDNAZZOXCD-UHFFFAOYSA-N
MW363.41 g/mol
LogP1.95
Rot. Bonds5

About N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide

N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide (PubChem CID 4789691) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
PubChem CID4789691
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC NameN-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
SMILESCCc1sc(C(=O)NNC(=O)CNC(=O)c2ccccc2F)cc1C
InChIInChI=1S/C17H18FN3O3S/c1-3-13-10(2)8-14(25-13)17(24)21-20-15(22)9-19-16(23)11-6-4-5-7-12(11)18/h4-8H,3,9H2,1-2H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyXVYBMDNAZZOXCD-UHFFFAOYSA-N
XLogP1.95
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.95
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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Related Compounds

N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 166633564
N-[2-(4-fluorophenyl)ethyl]-5-methyl-2-thiophenecarboxamide
CID 1247475
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide
CID 4787702
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 4788028
N-(2-{[2-(4-methylphenyl)ethyl]amino}-2-oxoethyl)thiophene-2-carboxamide
CID 5127938
3-Fluoro-N-({N'-[(E)-(thiophen-2-YL)methylidene]hydrazinecarbonyl}methyl)benzamide
CID 6882567
N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide
CID 7809163
N'-(4-fluorobenzoyl)-2,5-dimethylthiophene-3-carbohydrazide
CID 9105676
N-[1-(2,4-difluorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 16281807
5-methyl-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18106469
N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 18107541

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide (CID 4789691) is N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide is CCc1sc(C(=O)NNC(=O)CNC(=O)c2ccccc2F)cc1C.
What is the InChIKey of N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is XVYBMDNAZZOXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c1-3-13-10(2)8-14(25-13)17(24)21-20-15(22)9-19-16(23)11-6-4-5-7-12(11)18/h4-8H,3,9H2,1-2H3,(H,19,23)(H,20,22)(H,21,24).
What are the key properties of N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide?
N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 363.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 4789691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).