N'-(2-chloro-4-nitrobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide

C15H14ClN3O4S — CID 9091403

IUPACN'-(2-chloro-4-nitrobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C
InChIInChI=1S/C15H14ClN3O4S/c1-3-12-8(2)6-13(24-12)15(21)18-17-14(20)10-5-4-9(19(22)23)7-11(10)16/h4-7H,3H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyVTNRUDQHMDFHRC-UHFFFAOYSA-N
MW367.81 g/mol
LogP3.26
Rot. Bonds4

About N'-(2-chloro-4-nitrobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide

N'-(2-chloro-4-nitrobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide (PubChem CID 9091403) has the molecular formula C15H14ClN3O4S and a molecular weight of 367.81 g/mol. Its IUPAC name is N'-(2-chloro-4-nitrobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chloro-4-nitrobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
PubChem CID9091403
Molecular FormulaC15H14ClN3O4S
Molecular Weight367.81 g/mol
Exact Mass367.04
IUPAC NameN'-(2-chloro-4-nitrobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C
InChIInChI=1S/C15H14ClN3O4S/c1-3-12-8(2)6-13(24-12)15(21)18-17-14(20)10-5-4-9(19(22)23)7-11(10)16/h4-7H,3H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyVTNRUDQHMDFHRC-UHFFFAOYSA-N
XLogP3.26
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chloro-2-nitrobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9418431
2,4-dichloro-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24553410
2-chloro-N'-[2-(2-methylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 3526771
1-[(2-chloro-4-nitrobenzoyl)amino]-3-pentylthiourea
CID 9093252
N'-(2-chloro-4-nitrobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 46656729
N-(1-amino-2-methylpropan-2-yl)-2-chloro-4-nitrobenzamide
CID 119522293
2-chloro-N-(2-ethylbutyl)-4-nitrobenzamide
CID 113232033
N-(2-amino-2-ethylbutyl)-2-chloro-4-nitrobenzamide;hydrochloride
CID 119640742
N'-(5-ethyl-4-methylthiophene-2-carbonyl)pyridine-4-carbohydrazide
CID 18163616
2-chloro-N-[2-(methylamino)ethyl]-4-nitrobenzamide
CID 119501030
2-chloro-N'-(3-fluorobenzoyl)-4-nitrobenzohydrazide
CID 17386817
2-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-4-nitrobenzohydrazide
CID 8960583

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-4-nitrobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide?
The IUPAC name of N'-(2-chloro-4-nitrobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide (CID 9091403) is N'-(2-chloro-4-nitrobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-(2-chloro-4-nitrobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide?
The canonical SMILES for N'-(2-chloro-4-nitrobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide is CCc1sc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C.
What is the InChIKey of N'-(2-chloro-4-nitrobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide?
The InChIKey is VTNRUDQHMDFHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O4S/c1-3-12-8(2)6-13(24-12)15(21)18-17-14(20)10-5-4-9(19(22)23)7-11(10)16/h4-7H,3H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N'-(2-chloro-4-nitrobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide?
N'-(2-chloro-4-nitrobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide has a molecular weight of 367.81 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-4-nitrobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 9091403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).