N'-(2-methyl-3-nitrobenzoyl)thiophene-2-carbohydrazide

C13H11N3O4S — CID 4089645

IUPACN'-(2-methyl-3-nitrobenzoyl)thiophene-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2cccs2)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H11N3O4S/c1-8-9(4-2-5-10(8)16(19)20)12(17)14-15-13(18)11-6-3-7-21-11/h2-7H,1H3,(H,14,17)(H,15,18)
InChIKeyQBVJLRQOLOQWTH-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.04
Rot. Bonds3

About N'-(2-methyl-3-nitrobenzoyl)thiophene-2-carbohydrazide

N'-(2-methyl-3-nitrobenzoyl)thiophene-2-carbohydrazide (PubChem CID 4089645) has the molecular formula C13H11N3O4S and a molecular weight of 305.31 g/mol. Its IUPAC name is N'-(2-methyl-3-nitrobenzoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methyl-3-nitrobenzoyl)thiophene-2-carbohydrazide
PubChem CID4089645
Molecular FormulaC13H11N3O4S
Molecular Weight305.31 g/mol
Exact Mass305.05
IUPAC NameN'-(2-methyl-3-nitrobenzoyl)thiophene-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2cccs2)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H11N3O4S/c1-8-9(4-2-5-10(8)16(19)20)12(17)14-15-13(18)11-6-3-7-21-11/h2-7H,1H3,(H,14,17)(H,15,18)
InChIKeyQBVJLRQOLOQWTH-UHFFFAOYSA-N
XLogP2.04
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.04
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

N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide
CID 3108599
N-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide
CID 675560
N-hydroxy-2-methyl-3-nitrobenzamide
CID 24690706
N'-(4-methyl-3-nitrobenzoyl)thiophene-2-carbohydrazide
CID 3316001
2-methyl-N-[[(2-methyl-3-nitrobenzoyl)amino]methyl]-3-nitrobenzamide
CID 134843322
2-methyl-3-nitro-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide
CID 17385895
N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 9479330
2-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzamide;hydrobromide
CID 162319898
2-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3644824
2-methyl-3-nitro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835023
3-methyl-N'-(2-methyl-3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
CID 26874015
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-methyl-3-nitrobenzamide
CID 121170079

Frequently Asked Questions

What is the IUPAC name of N'-(2-methyl-3-nitrobenzoyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(2-methyl-3-nitrobenzoyl)thiophene-2-carbohydrazide (CID 4089645) is N'-(2-methyl-3-nitrobenzoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(2-methyl-3-nitrobenzoyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(2-methyl-3-nitrobenzoyl)thiophene-2-carbohydrazide is Cc1c(C(=O)NNC(=O)c2cccs2)cccc1[N+](=O)[O-].
What is the InChIKey of N'-(2-methyl-3-nitrobenzoyl)thiophene-2-carbohydrazide?
The InChIKey is QBVJLRQOLOQWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4S/c1-8-9(4-2-5-10(8)16(19)20)12(17)14-15-13(18)11-6-3-7-21-11/h2-7H,1H3,(H,14,17)(H,15,18).
What are the key properties of N'-(2-methyl-3-nitrobenzoyl)thiophene-2-carbohydrazide?
N'-(2-methyl-3-nitrobenzoyl)thiophene-2-carbohydrazide has a molecular weight of 305.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methyl-3-nitrobenzoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 4089645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).