N'-[4-(oxolan-2-ylmethoxy)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide

C20H22N2O4S — CID 46652833

IUPACN'-[4-(oxolan-2-ylmethoxy)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc2c(s1)CCC2)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C20H22N2O4S/c23-19(21-22-20(24)18-11-14-3-1-5-17(14)27-18)13-6-8-15(9-7-13)26-12-16-4-2-10-25-16/h6-9,11,16H,1-5,10,12H2,(H,21,23)(H,22,24)
InChIKeyDLVNZONLTWLJKF-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.87
Rot. Bonds5

About N'-[4-(oxolan-2-ylmethoxy)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide

N'-[4-(oxolan-2-ylmethoxy)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide (PubChem CID 46652833) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N'-[4-(oxolan-2-ylmethoxy)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(oxolan-2-ylmethoxy)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
PubChem CID46652833
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN'-[4-(oxolan-2-ylmethoxy)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc2c(s1)CCC2)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C20H22N2O4S/c23-19(21-22-20(24)18-11-14-3-1-5-17(14)27-18)13-6-8-15(9-7-13)26-12-16-4-2-10-25-16/h6-9,11,16H,1-5,10,12H2,(H,21,23)(H,22,24)
InChIKeyDLVNZONLTWLJKF-UHFFFAOYSA-N
XLogP2.87
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.87
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

N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
3-chloro-N'-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]benzohydrazide
CID 2108807
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17222468
2-hydroxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 43016979
2-chloro-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 17222475
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-1H-pyrrole-2-carbohydrazide
CID 78814237
4-ethoxy-3-methoxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 4789040
N'-(2-naphthalen-2-yloxyacetyl)-4-(oxolan-2-ylmethoxy)benzohydrazide
CID 17222481
4-[[(2R)-oxolan-2-yl]methoxy]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 30254308
N-cycloheptyl-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2125237
N'-[2-(4-methoxyphenyl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
CID 17222482
3-chloro-N'-[4-(oxolan-2-ylmethoxy)benzoyl]-1-benzothiophene-2-carbohydrazide
CID 17222484

Frequently Asked Questions

What is the IUPAC name of N'-[4-(oxolan-2-ylmethoxy)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
The IUPAC name of N'-[4-(oxolan-2-ylmethoxy)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide (CID 46652833) is N'-[4-(oxolan-2-ylmethoxy)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[4-(oxolan-2-ylmethoxy)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[4-(oxolan-2-ylmethoxy)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide is O=C(NNC(=O)c1cc2c(s1)CCC2)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N'-[4-(oxolan-2-ylmethoxy)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
The InChIKey is DLVNZONLTWLJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c23-19(21-22-20(24)18-11-14-3-1-5-17(14)27-18)13-6-8-15(9-7-13)26-12-16-4-2-10-25-16/h6-9,11,16H,1-5,10,12H2,(H,21,23)(H,22,24).
What are the key properties of N'-[4-(oxolan-2-ylmethoxy)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide has a molecular weight of 386.47 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(oxolan-2-ylmethoxy)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide is sourced from PubChem (CID 46652833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).