N-[2-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide

C20H23N3O6S — CID 27684706

IUPACN-[2-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)NNC(=O)c2cc3c(s2)CCC3)cc(OC)c1OC
InChIInChI=1S/C20H23N3O6S/c1-27-13-7-12(8-14(28-2)18(13)29-3)19(25)21-10-17(24)22-23-20(26)16-9-11-5-4-6-15(11)30-16/h7-9H,4-6,10H2,1-3H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyNPICDXZIPJFNFM-UHFFFAOYSA-N
MW433.49 g/mol
LogP1.45
Rot. Bonds7

About N-[2-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide

N-[2-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide (PubChem CID 27684706) has the molecular formula C20H23N3O6S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[2-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
PubChem CID27684706
Molecular FormulaC20H23N3O6S
Molecular Weight433.49 g/mol
Exact Mass433.13
IUPAC NameN-[2-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)NNC(=O)c2cc3c(s2)CCC3)cc(OC)c1OC
InChIInChI=1S/C20H23N3O6S/c1-27-13-7-12(8-14(28-2)18(13)29-3)19(25)21-10-17(24)22-23-20(26)16-9-11-5-4-6-15(11)30-16/h7-9H,4-6,10H2,1-3H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyNPICDXZIPJFNFM-UHFFFAOYSA-N
XLogP1.45
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide (CID 27684706) is N-[2-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCC(=O)NNC(=O)c2cc3c(s2)CCC3)cc(OC)c1OC.
What is the InChIKey of N-[2-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is NPICDXZIPJFNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S/c1-27-13-7-12(8-14(28-2)18(13)29-3)19(25)21-10-17(24)22-23-20(26)16-9-11-5-4-6-15(11)30-16/h7-9H,4-6,10H2,1-3H3,(H,21,25)(H,22,24)(H,23,26).
What are the key properties of N-[2-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
N-[2-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 433.49 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 27684706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).