N'-[3-(4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide

C15H16N2O3S — CID 4795171

IUPACN'-[3-(4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide
SMILESCOc1ccc(CCC(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C15H16N2O3S/c1-20-12-7-4-11(5-8-12)6-9-14(18)16-17-15(19)13-3-2-10-21-13/h2-5,7-8,10H,6,9H2,1H3,(H,16,18)(H,17,19)
InChIKeyNBBSJCCIGCKRPS-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.15
Rot. Bonds5

About N'-[3-(4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide

N'-[3-(4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide (PubChem CID 4795171) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N'-[3-(4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide
PubChem CID4795171
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN'-[3-(4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide
SMILESCOc1ccc(CCC(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C15H16N2O3S/c1-20-12-7-4-11(5-8-12)6-9-14(18)16-17-15(19)13-3-2-10-21-13/h2-5,7-8,10H,6,9H2,1H3,(H,16,18)(H,17,19)
InChIKeyNBBSJCCIGCKRPS-UHFFFAOYSA-N
XLogP2.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.15
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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Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[3-(4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide (CID 4795171) is N'-[3-(4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[3-(4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[3-(4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide is COc1ccc(CCC(=O)NNC(=O)c2cccs2)cc1.
What is the InChIKey of N'-[3-(4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide?
The InChIKey is NBBSJCCIGCKRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-20-12-7-4-11(5-8-12)6-9-14(18)16-17-15(19)13-3-2-10-21-13/h2-5,7-8,10H,6,9H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-[3-(4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide?
N'-[3-(4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide has a molecular weight of 304.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 4795171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).