N-(2,4-dimethoxyphenyl)-2-[(3-methoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C24H26N2O4S — CID 1082680

IUPACN-(2,4-dimethoxyphenyl)-2-[(3-methoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESCOc1cccc(CNc2sc3c(c2C(=O)Nc2ccc(OC)cc2OC)CCC3)c1
InChIInChI=1S/C24H26N2O4S/c1-28-16-7-4-6-15(12-16)14-25-24-22(18-8-5-9-21(18)31-24)23(27)26-19-11-10-17(29-2)13-20(19)30-3/h4,6-7,10-13,25H,5,8-9,14H2,1-3H3,(H,26,27)
InChIKeyOUQJQWDNBXXIPT-UHFFFAOYSA-N
MW438.55 g/mol
LogP5.13
Rot. Bonds8

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

N-(2,4-dimethoxyphenyl)-2-[(3-methoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 1082680) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[(3-methoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[(3-methoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID1082680
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[(3-methoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESCOc1cccc(CNc2sc3c(c2C(=O)Nc2ccc(OC)cc2OC)CCC3)c1
InChIInChI=1S/C24H26N2O4S/c1-28-16-7-4-6-15(12-16)14-25-24-22(18-8-5-9-21(18)31-24)23(27)26-19-11-10-17(29-2)13-20(19)30-3/h4,6-7,10-13,25H,5,8-9,14H2,1-3H3,(H,26,27)
InChIKeyOUQJQWDNBXXIPT-UHFFFAOYSA-N
XLogP5.13
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.55
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_H(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[(3-methoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[(3-methoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 1082680) is N-(2,4-dimethoxyphenyl)-2-[(3-methoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[(3-methoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[(3-methoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is COc1cccc(CNc2sc3c(c2C(=O)Nc2ccc(OC)cc2OC)CCC3)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[(3-methoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is OUQJQWDNBXXIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-28-16-7-4-6-15(12-16)14-25-24-22(18-8-5-9-21(18)31-24)23(27)26-19-11-10-17(29-2)13-20(19)30-3/h4,6-7,10-13,25H,5,8-9,14H2,1-3H3,(H,26,27).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[(3-methoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
N-(2,4-dimethoxyphenyl)-2-[(3-methoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 5.13, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[(3-methoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 1082680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).