N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]thiophene-2-carbohydrazide

C15H14N2O2S — CID 691734

IUPACN'-[(1R,2S)-2-phenylcyclopropanecarbonyl]thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cccs1
InChIInChI=1S/C15H14N2O2S/c18-14(16-17-15(19)13-7-4-8-20-13)12-9-11(12)10-5-2-1-3-6-10/h1-8,11-12H,9H2,(H,16,18)(H,17,19)/t11-,12-/m1/s1
InChIKeyNMUWNWFKRQPMAD-VXGBXAGGSA-N
MW286.36 g/mol
LogP2.31
Rot. Bonds3

About N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]thiophene-2-carbohydrazide

N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]thiophene-2-carbohydrazide (PubChem CID 691734) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(1R,2S)-2-phenylcyclopropanecarbonyl]thiophene-2-carbohydrazide
PubChem CID691734
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN'-[(1R,2S)-2-phenylcyclopropanecarbonyl]thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cccs1
InChIInChI=1S/C15H14N2O2S/c18-14(16-17-15(19)13-7-4-8-20-13)12-9-11(12)10-5-2-1-3-6-10/h1-8,11-12H,9H2,(H,16,18)(H,17,19)/t11-,12-/m1/s1
InChIKeyNMUWNWFKRQPMAD-VXGBXAGGSA-N
XLogP2.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.31
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

trans-(1R,2R)-2-[(thiophene-2-carbonylamino)carbamoyl]cyclohexane-1-carboxylic acid
CID 6544086
2-phenyl-N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropane-1-carboxamide
CID 6370476
cis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide
CID 689551
N'-[2-(4-fluorophenyl)cyclopropanecarbonyl]benzohydrazide
CID 51291955
4-oxo-4-[2-[(1S,2S)-2-phenylcyclopropanecarbonyl]hydrazinyl]but-2-enoic acid
CID 7430948
2-nitro-N'-(2-phenylcyclopropanecarbonyl)benzohydrazide
CID 3098905
cis-(1S,2R)-2-phenyl-N'-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carbohydrazide
CID 40530433
cis-(1R,2S)-2-bromo-1-methyl-N'-[(1R,2R)-2-phenylcyclopropanecarbonyl]cyclopropane-1-carbohydrazide
CID 7353658
4-oxo-4-[2-[(1R,2R)-2-phenylcyclopropanecarbonyl]hydrazinyl]butanoate
CID 2255960
2-oxo-N-phenyl-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide
CID 171982887
N'-(1-phenylethenyl)thiophene-2-carbohydrazide
CID 2715132
trans-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 2539027

Frequently Asked Questions

What is the IUPAC name of N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]thiophene-2-carbohydrazide (CID 691734) is N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]thiophene-2-carbohydrazide is O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cccs1.
What is the InChIKey of N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]thiophene-2-carbohydrazide?
The InChIKey is NMUWNWFKRQPMAD-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H14N2O2S/c18-14(16-17-15(19)13-7-4-8-20-13)12-9-11(12)10-5-2-1-3-6-10/h1-8,11-12H,9H2,(H,16,18)(H,17,19)/t11-,12-/m1/s1.
What are the key properties of N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]thiophene-2-carbohydrazide?
N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]thiophene-2-carbohydrazide has a molecular weight of 286.36 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 691734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).