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

C14H13ClN2O2S — CID 36855608

IUPACN'-[2-(4-chlorophenyl)acetyl]-5-methylthiophene-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C14H13ClN2O2S/c1-9-2-7-12(20-9)14(19)17-16-13(18)8-10-3-5-11(15)6-4-10/h2-7H,8H2,1H3,(H,16,18)(H,17,19)
InChIKeyHEAXKGBKWXFJSX-UHFFFAOYSA-N
MW308.79 g/mol
LogP2.71
Rot. Bonds3

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

N'-[2-(4-chlorophenyl)acetyl]-5-methylthiophene-2-carbohydrazide (PubChem CID 36855608) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)acetyl]-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)acetyl]-5-methylthiophene-2-carbohydrazide
PubChem CID36855608
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC NameN'-[2-(4-chlorophenyl)acetyl]-5-methylthiophene-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C14H13ClN2O2S/c1-9-2-7-12(20-9)14(19)17-16-13(18)8-10-3-5-11(15)6-4-10/h2-7H,8H2,1H3,(H,16,18)(H,17,19)
InChIKeyHEAXKGBKWXFJSX-UHFFFAOYSA-N
XLogP2.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 52.71
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)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide
CID 26657465
N'-[2-(4-chlorophenyl)acetyl]thiophene-2-carbohydrazide
CID 809192
N-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 34079875
N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936719
N'-[2-(4-chlorophenyl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684454
N'-[2-(4-chlorophenyl)acetyl]-3,4-dimethylbenzohydrazide
CID 78784923
N'-(3-chlorobenzoyl)-5-methylthiophene-2-carbohydrazide
CID 27604628
N'-[2-(4-chlorophenyl)acetyl]-2,4,5-trimethylfuran-3-carbohydrazide
CID 26996819
N'-(2-chloroacetyl)-2-(4-chlorophenyl)acetohydrazide
CID 82121554
N'-[2-(4-chlorophenyl)acetyl]-3-methylbenzohydrazide
CID 965991
1-[[2-(2-methoxyphenyl)acetyl]amino]-3-[(5-methylthiophene-2-carbonyl)amino]urea
CID 47960208
ethyl N-[(5-methylthiophene-2-carbonyl)amino]carbamate
CID 30948448

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-5-methylthiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-5-methylthiophene-2-carbohydrazide (CID 36855608) is N'-[2-(4-chlorophenyl)acetyl]-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)acetyl]-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)acetyl]-5-methylthiophene-2-carbohydrazide is Cc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)s1.
What is the InChIKey of N'-[2-(4-chlorophenyl)acetyl]-5-methylthiophene-2-carbohydrazide?
The InChIKey is HEAXKGBKWXFJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-9-2-7-12(20-9)14(19)17-16-13(18)8-10-3-5-11(15)6-4-10/h2-7H,8H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-[2-(4-chlorophenyl)acetyl]-5-methylthiophene-2-carbohydrazide?
N'-[2-(4-chlorophenyl)acetyl]-5-methylthiophene-2-carbohydrazide has a molecular weight of 308.79 g/mol, XLogP of 2.71, 3 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]-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 36855608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).