N'-(2-cyclopentylsulfanylacetyl)-3-nitrobenzohydrazide

C14H17N3O4S — CID 8763621

IUPACN'-(2-cyclopentylsulfanylacetyl)-3-nitrobenzohydrazide
SMILESO=C(CSC1CCCC1)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H17N3O4S/c18-13(9-22-12-6-1-2-7-12)15-16-14(19)10-4-3-5-11(8-10)17(20)21/h3-5,8,12H,1-2,6-7,9H2,(H,15,18)(H,16,19)
InChIKeyIBKXPAPGSXYREK-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.03
Rot. Bonds5

About N'-(2-cyclopentylsulfanylacetyl)-3-nitrobenzohydrazide

N'-(2-cyclopentylsulfanylacetyl)-3-nitrobenzohydrazide (PubChem CID 8763621) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is N'-(2-cyclopentylsulfanylacetyl)-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(2-cyclopentylsulfanylacetyl)-3-nitrobenzohydrazide
PubChem CID8763621
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC NameN'-(2-cyclopentylsulfanylacetyl)-3-nitrobenzohydrazide
SMILESO=C(CSC1CCCC1)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H17N3O4S/c18-13(9-22-12-6-1-2-7-12)15-16-14(19)10-4-3-5-11(8-10)17(20)21/h3-5,8,12H,1-2,6-7,9H2,(H,15,18)(H,16,19)
InChIKeyIBKXPAPGSXYREK-UHFFFAOYSA-N
XLogP2.03
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentylsulfanyl-1-(3-nitrophenyl)ethanone
CID 63115450
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
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CID 9218965
1-cyclopropyl-3-[(3-nitrobenzoyl)amino]urea
CID 47131760
N'-(3-methylbutanoyl)-3-nitrobenzohydrazide
CID 9333812
N'-[2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3-nitrobenzohydrazide
CID 41317398
N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-nitrobenzohydrazide
CID 8573535
[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea
CID 18168702
N'-[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-3-nitrobenzohydrazide
CID 16558931
N'-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-nitrobenzohydrazide
CID 29351963
N'-(3,3-diphenylpropanoyl)-3-nitrobenzohydrazide
CID 4023612
tert-butyl (2S)-2-[[(3-nitrobenzoyl)amino]carbamoyl]pyrrolidine-1-carboxylate
CID 55944175

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclopentylsulfanylacetyl)-3-nitrobenzohydrazide?
The IUPAC name of N'-(2-cyclopentylsulfanylacetyl)-3-nitrobenzohydrazide (CID 8763621) is N'-(2-cyclopentylsulfanylacetyl)-3-nitrobenzohydrazide.
What is the SMILES notation for N'-(2-cyclopentylsulfanylacetyl)-3-nitrobenzohydrazide?
The canonical SMILES for N'-(2-cyclopentylsulfanylacetyl)-3-nitrobenzohydrazide is O=C(CSC1CCCC1)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-(2-cyclopentylsulfanylacetyl)-3-nitrobenzohydrazide?
The InChIKey is IBKXPAPGSXYREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c18-13(9-22-12-6-1-2-7-12)15-16-14(19)10-4-3-5-11(8-10)17(20)21/h3-5,8,12H,1-2,6-7,9H2,(H,15,18)(H,16,19).
What are the key properties of N'-(2-cyclopentylsulfanylacetyl)-3-nitrobenzohydrazide?
N'-(2-cyclopentylsulfanylacetyl)-3-nitrobenzohydrazide has a molecular weight of 323.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclopentylsulfanylacetyl)-3-nitrobenzohydrazide is sourced from PubChem (CID 8763621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).