3,5-dimethoxy-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide

C17H20N2O4S — CID 17391517

IUPAC3,5-dimethoxy-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)CCCc2cccs2)c1
InChIInChI=1S/C17H20N2O4S/c1-22-13-9-12(10-14(11-13)23-2)17(21)19-18-16(20)7-3-5-15-6-4-8-24-15/h4,6,8-11H,3,5,7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyMMADYASYURXIOE-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.55
Rot. Bonds7

About 3,5-dimethoxy-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide

3,5-dimethoxy-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide (PubChem CID 17391517) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 3,5-dimethoxy-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide.

Molecular Properties

Compound Name3,5-dimethoxy-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide
PubChem CID17391517
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name3,5-dimethoxy-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)CCCc2cccs2)c1
InChIInChI=1S/C17H20N2O4S/c1-22-13-9-12(10-14(11-13)23-2)17(21)19-18-16(20)7-3-5-15-6-4-8-24-15/h4,6,8-11H,3,5,7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyMMADYASYURXIOE-UHFFFAOYSA-N
XLogP2.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(5-methoxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one
CID 105123969
N'-(3-thiophen-2-ylpropanoyl)benzohydrazide
CID 30859496
N-[(3,5-dimethoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 52570846
N'-[2-(4-ethylphenoxy)acetyl]-4-thiophen-2-ylbutanehydrazide
CID 9472040
N'-methyl-5-thiophen-2-ylpentanehydrazide
CID 116846588
4-ethoxy-N-[4-[(4-thiophen-2-ylbutanoylamino)carbamoyl]phenyl]benzenesulfonamide
CID 4847097
5-(phenoxymethyl)-N'-(4-thiophen-2-ylbutanoyl)furan-2-carbohydrazide
CID 9219783
4-(4-methylpiperazin-1-yl)sulfonyl-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide
CID 26011944
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 9477807
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 111115545
3-methoxy-N'-pentanoylbenzohydrazide
CID 3117671
3-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 51230163

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide?
The IUPAC name of 3,5-dimethoxy-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide (CID 17391517) is 3,5-dimethoxy-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide.
What is the SMILES notation for 3,5-dimethoxy-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide?
The canonical SMILES for 3,5-dimethoxy-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide is COc1cc(OC)cc(C(=O)NNC(=O)CCCc2cccs2)c1.
What is the InChIKey of 3,5-dimethoxy-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide?
The InChIKey is MMADYASYURXIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-22-13-9-12(10-14(11-13)23-2)17(21)19-18-16(20)7-3-5-15-6-4-8-24-15/h4,6,8-11H,3,5,7H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 3,5-dimethoxy-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide?
3,5-dimethoxy-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide has a molecular weight of 348.42 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide is sourced from PubChem (CID 17391517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).