N'-(4-ethoxybenzoyl)-5-methyl-4-propylthiophene-2-carbohydrazide

C18H22N2O3S — CID 27619786

IUPACN'-(4-ethoxybenzoyl)-5-methyl-4-propylthiophene-2-carbohydrazide
SMILESCCCc1cc(C(=O)NNC(=O)c2ccc(OCC)cc2)sc1C
InChIInChI=1S/C18H22N2O3S/c1-4-6-14-11-16(24-12(14)3)18(22)20-19-17(21)13-7-9-15(10-8-13)23-5-2/h7-11H,4-6H2,1-3H3,(H,19,21)(H,20,22)
InChIKeySBEMXDRTTBWQQQ-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.48
Rot. Bonds6

About N'-(4-ethoxybenzoyl)-5-methyl-4-propylthiophene-2-carbohydrazide

N'-(4-ethoxybenzoyl)-5-methyl-4-propylthiophene-2-carbohydrazide (PubChem CID 27619786) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N'-(4-ethoxybenzoyl)-5-methyl-4-propylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxybenzoyl)-5-methyl-4-propylthiophene-2-carbohydrazide
PubChem CID27619786
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN'-(4-ethoxybenzoyl)-5-methyl-4-propylthiophene-2-carbohydrazide
SMILESCCCc1cc(C(=O)NNC(=O)c2ccc(OCC)cc2)sc1C
InChIInChI=1S/C18H22N2O3S/c1-4-6-14-11-16(24-12(14)3)18(22)20-19-17(21)13-7-9-15(10-8-13)23-5-2/h7-11H,4-6H2,1-3H3,(H,19,21)(H,20,22)
InChIKeySBEMXDRTTBWQQQ-UHFFFAOYSA-N
XLogP3.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.48
H-Bond Donors ≤ 52
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-ethoxybenzoyl)-4,5-dimethylthiophene-2-carbohydrazide
CID 35768961
N'-(4-ethoxybenzoyl)-5-methyl-4-nitrothiophene-2-carbohydrazide
CID 46586432
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
2,5-dichloro-N'-(4-ethoxybenzoyl)thiophene-3-carbohydrazide
CID 26767393
N',N',5-trimethyl-4-propylthiophene-2-carbohydrazide
CID 9179994
6-[(5-methyl-4-propylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 61320020
5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide
CID 7899856
N'-(4-ethoxybenzoyl)-2,4-dimethylbenzohydrazide
CID 7600016
N-(2,6-dimethylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 18082264
N'-(4-ethoxybenzoyl)pyridine-4-carbohydrazide
CID 959949
N'-(4-ethoxybenzoyl)-6-methylpyridine-3-carbohydrazide
CID 18147998
N'-(4-ethoxybenzoyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 26187387

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxybenzoyl)-5-methyl-4-propylthiophene-2-carbohydrazide?
The IUPAC name of N'-(4-ethoxybenzoyl)-5-methyl-4-propylthiophene-2-carbohydrazide (CID 27619786) is N'-(4-ethoxybenzoyl)-5-methyl-4-propylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-(4-ethoxybenzoyl)-5-methyl-4-propylthiophene-2-carbohydrazide?
The canonical SMILES for N'-(4-ethoxybenzoyl)-5-methyl-4-propylthiophene-2-carbohydrazide is CCCc1cc(C(=O)NNC(=O)c2ccc(OCC)cc2)sc1C.
What is the InChIKey of N'-(4-ethoxybenzoyl)-5-methyl-4-propylthiophene-2-carbohydrazide?
The InChIKey is SBEMXDRTTBWQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-6-14-11-16(24-12(14)3)18(22)20-19-17(21)13-7-9-15(10-8-13)23-5-2/h7-11H,4-6H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-ethoxybenzoyl)-5-methyl-4-propylthiophene-2-carbohydrazide?
N'-(4-ethoxybenzoyl)-5-methyl-4-propylthiophene-2-carbohydrazide has a molecular weight of 346.45 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxybenzoyl)-5-methyl-4-propylthiophene-2-carbohydrazide is sourced from PubChem (CID 27619786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).