N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide

C16H16ClN3O4S — CID 4793437

IUPACN-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)CNC(=O)c1ccc(C)s1
InChIInChI=1S/C16H16ClN3O4S/c1-9-3-6-13(25-9)16(23)18-8-14(21)19-20-15(22)11-7-10(17)4-5-12(11)24-2/h3-7H,8H2,1-2H3,(H,18,23)(H,19,21)(H,20,22)
InChIKeyKKCIGHUMHZMCOE-UHFFFAOYSA-N
MW381.84 g/mol
LogP1.91
Rot. Bonds5

About N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 4793437) has the molecular formula C16H16ClN3O4S and a molecular weight of 381.84 g/mol. Its IUPAC name is N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID4793437
Molecular FormulaC16H16ClN3O4S
Molecular Weight381.84 g/mol
Exact Mass381.06
IUPAC NameN-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)CNC(=O)c1ccc(C)s1
InChIInChI=1S/C16H16ClN3O4S/c1-9-3-6-13(25-9)16(23)18-8-14(21)19-20-15(22)11-7-10(17)4-5-12(11)24-2/h3-7H,8H2,1-2H3,(H,18,23)(H,19,21)(H,20,22)
InChIKeyKKCIGHUMHZMCOE-UHFFFAOYSA-N
XLogP1.91
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-chloro-2-methoxybenzoyl)thiophene-2-carbohydrazide
CID 2408294
2-methoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide
CID 4787489
2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
CID 7986833
N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 4793816
5-chloro-2-methoxy-N-(3-phenylsulfanylpropyl)benzamide
CID 4792360
2-ethoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide
CID 4799991
[2-(5-Chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 24982772
N-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 24980946
3-[(5-Chloro-2-methoxybenzoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 45350552
(5-Chloro-2-methoxyphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 9181171
5-chloro-2-methoxy-N-((1-(thiophen-2-ylmethyl)piperidin-4-yl)methyl)benzamide
CID 16896219
5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-(thiophen-3-yl)ethyl]benzamide
CID 16931413

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 4793437) is N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide is COc1ccc(Cl)cc1C(=O)NNC(=O)CNC(=O)c1ccc(C)s1.
What is the InChIKey of N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is KKCIGHUMHZMCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4S/c1-9-3-6-13(25-9)16(23)18-8-14(21)19-20-15(22)11-7-10(17)4-5-12(11)24-2/h3-7H,8H2,1-2H3,(H,18,23)(H,19,21)(H,20,22).
What are the key properties of N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 381.84 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 4793437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).