N'-(3-methoxy-4-prop-2-enoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide

C19H20N2O4S — CID 24540850

IUPACN'-(3-methoxy-4-prop-2-enoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)c2cc3c(s2)CCC3)cc1OC
InChIInChI=1S/C19H20N2O4S/c1-3-9-25-14-8-7-13(10-15(14)24-2)18(22)20-21-19(23)17-11-12-5-4-6-16(12)26-17/h3,7-8,10-11H,1,4-6,9H2,2H3,(H,20,22)(H,21,23)
InChIKeyLCFQAKABBVGTIG-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.88
Rot. Bonds6

About N'-(3-methoxy-4-prop-2-enoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide

N'-(3-methoxy-4-prop-2-enoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide (PubChem CID 24540850) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N'-(3-methoxy-4-prop-2-enoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methoxy-4-prop-2-enoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
PubChem CID24540850
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN'-(3-methoxy-4-prop-2-enoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)c2cc3c(s2)CCC3)cc1OC
InChIInChI=1S/C19H20N2O4S/c1-3-9-25-14-8-7-13(10-15(14)24-2)18(22)20-21-19(23)17-11-12-5-4-6-16(12)26-17/h3,7-8,10-11H,1,4-6,9H2,2H3,(H,20,22)(H,21,23)
InChIKeyLCFQAKABBVGTIG-UHFFFAOYSA-N
XLogP2.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 25444091
N'-(3-methoxybenzoyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 9441649
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9462526
N-[2-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27684706
2-[2-methoxy-4-[[[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]amino]carbamoyl]phenoxy]acetamide
CID 9090731
N'-[3-(methoxymethyl)benzoyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 9426553
N'-(3-methoxy-4-prop-2-enoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 78829676
N'-(3,5-dimethoxybenzoyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 24643157
N-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 1245255
N-[(Z)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9462729
N-(2,5-dimethoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 2348568
N-[(2,3,4-trimethoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 86926425

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxy-4-prop-2-enoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
The IUPAC name of N'-(3-methoxy-4-prop-2-enoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide (CID 24540850) is N'-(3-methoxy-4-prop-2-enoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(3-methoxy-4-prop-2-enoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
The canonical SMILES for N'-(3-methoxy-4-prop-2-enoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide is C=CCOc1ccc(C(=O)NNC(=O)c2cc3c(s2)CCC3)cc1OC.
What is the InChIKey of N'-(3-methoxy-4-prop-2-enoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
The InChIKey is LCFQAKABBVGTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-3-9-25-14-8-7-13(10-15(14)24-2)18(22)20-21-19(23)17-11-12-5-4-6-16(12)26-17/h3,7-8,10-11H,1,4-6,9H2,2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(3-methoxy-4-prop-2-enoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
N'-(3-methoxy-4-prop-2-enoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide has a molecular weight of 372.45 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxy-4-prop-2-enoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide is sourced from PubChem (CID 24540850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).