N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide

C18H21N3O3S — CID 25433723

IUPACN-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
SMILESCCc1sc(C(=O)NNC(=O)CNC(=O)c2cccc(C)c2)cc1C
InChIInChI=1S/C18H21N3O3S/c1-4-14-12(3)9-15(25-14)18(24)21-20-16(22)10-19-17(23)13-7-5-6-11(2)8-13/h5-9H,4,10H2,1-3H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyXULYVJHFFKHNMO-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.12
Rot. Bonds5

About N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide

N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide (PubChem CID 25433723) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
PubChem CID25433723
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
SMILESCCc1sc(C(=O)NNC(=O)CNC(=O)c2cccc(C)c2)cc1C
InChIInChI=1S/C18H21N3O3S/c1-4-14-12(3)9-15(25-14)18(24)21-20-16(22)10-19-17(23)13-7-5-6-11(2)8-13/h5-9H,4,10H2,1-3H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyXULYVJHFFKHNMO-UHFFFAOYSA-N
XLogP2.12
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.12
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-[(2S)-1-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 9157792
4-butoxy-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 9418410
5-bromo-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 9418407
2,4-dichloro-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24553410
N'-(2,4-dimethylbenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 43004050
3-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]carbamoyl]-N-methylbenzenesulfonamide
CID 4793839
N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091
N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 9496139
5-ethyl-4-methyl-N'-(4-oxo-4-thiophen-2-ylbutanoyl)thiophene-2-carbohydrazide
CID 4793750
N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9418338
3-methyl-N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]benzamide
CID 7677873
N'-(5-ethyl-4-methylthiophene-2-carbonyl)pyridine-4-carbohydrazide
CID 18163616

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide (CID 25433723) is N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide is CCc1sc(C(=O)NNC(=O)CNC(=O)c2cccc(C)c2)cc1C.
What is the InChIKey of N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide?
The InChIKey is XULYVJHFFKHNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-4-14-12(3)9-15(25-14)18(24)21-20-16(22)10-19-17(23)13-7-5-6-11(2)8-13/h5-9H,4,10H2,1-3H3,(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]-3-methylbenzamide?
N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide has a molecular weight of 359.45 g/mol, XLogP of 2.12, 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]-3-methylbenzamide is sourced from PubChem (CID 25433723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).