N-(2-ethoxyphenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C25H26N2O4S — CID 2884776

IUPACN-(2-ethoxyphenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)sc2c1CCC2
InChIInChI=1S/C25H26N2O4S/c1-3-31-20-9-5-4-8-19(20)26-24(29)23-18-7-6-10-21(18)32-25(23)27-22(28)15-16-11-13-17(30-2)14-12-16/h4-5,8-9,11-14H,3,6-7,10,15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyMHAHIKUYWJPDPT-UHFFFAOYSA-N
MW450.56 g/mol
LogP5.08
Rot. Bonds8

About N-(2-ethoxyphenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

N-(2-ethoxyphenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 2884776) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID2884776
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC NameN-(2-ethoxyphenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)sc2c1CCC2
InChIInChI=1S/C25H26N2O4S/c1-3-31-20-9-5-4-8-19(20)26-24(29)23-18-7-6-10-21(18)32-25(23)27-22(28)15-16-11-13-17(30-2)14-12-16/h4-5,8-9,11-14H,3,6-7,10,15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyMHAHIKUYWJPDPT-UHFFFAOYSA-N
XLogP5.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.56
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 2884776) is N-(2-ethoxyphenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is CCOc1ccccc1NC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)sc2c1CCC2.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is MHAHIKUYWJPDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-3-31-20-9-5-4-8-19(20)26-24(29)23-18-7-6-10-21(18)32-25(23)27-22(28)15-16-11-13-17(30-2)14-12-16/h4-5,8-9,11-14H,3,6-7,10,15H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-(2-ethoxyphenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
N-(2-ethoxyphenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 5.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 2884776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).