N'-[2-(4-chlorophenyl)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide

C16H17ClN2O2S — CID 26657465

IUPACN'-[2-(4-chlorophenyl)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide
SMILESCCc1cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)sc1C
InChIInChI=1S/C16H17ClN2O2S/c1-3-12-9-14(22-10(12)2)16(21)19-18-15(20)8-11-4-6-13(17)7-5-11/h4-7,9H,3,8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyWWGQTYAZEIMCMV-UHFFFAOYSA-N
MW336.84 g/mol
LogP3.28
Rot. Bonds4

About N'-[2-(4-chlorophenyl)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide

N'-[2-(4-chlorophenyl)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide (PubChem CID 26657465) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide
PubChem CID26657465
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC NameN'-[2-(4-chlorophenyl)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide
SMILESCCc1cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)sc1C
InChIInChI=1S/C16H17ClN2O2S/c1-3-12-9-14(22-10(12)2)16(21)19-18-15(20)8-11-4-6-13(17)7-5-11/h4-7,9H,3,8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyWWGQTYAZEIMCMV-UHFFFAOYSA-N
XLogP3.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide
CID 26854197
N'-[2-(4-chlorophenyl)acetyl]-5-methylthiophene-2-carbohydrazide
CID 36855608
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 7801038
N'-[2-(2-chlorophenoxy)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide
CID 7601142
N'-[2-(4-chlorophenyl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684454
N'-[2-(4-chlorophenyl)acetyl]thiophene-2-carbohydrazide
CID 809192
N'-(2,4-dimethylbenzoyl)-4-ethyl-5-methylthiophene-2-carbohydrazide
CID 7600498
(5S)-N'-[2-(4-chlorophenyl)acetyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 2437859
N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936719
N'-[2-(4-chlorophenyl)acetyl]-3,4-dimethylbenzohydrazide
CID 78784923
N'-[2-(4-chlorophenyl)acetyl]-3-methylbenzohydrazide
CID 965991
N'-(4-ethyl-5-methylthiophene-2-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 17479567

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide (CID 26657465) is N'-[2-(4-chlorophenyl)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide is CCc1cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)sc1C.
What is the InChIKey of N'-[2-(4-chlorophenyl)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide?
The InChIKey is WWGQTYAZEIMCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S/c1-3-12-9-14(22-10(12)2)16(21)19-18-15(20)8-11-4-6-13(17)7-5-11/h4-7,9H,3,8H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(4-chlorophenyl)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide?
N'-[2-(4-chlorophenyl)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide has a molecular weight of 336.84 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 26657465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).