2-amino-4,5-bis(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-3-carboxamide

C25H20Cl2N2O2S — CID 71658068

IUPAC2-amino-4,5-bis(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(N)sc(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H20Cl2N2O2S/c1-31-20-12-2-15(3-13-20)14-29-25(30)22-21(16-4-8-18(26)9-5-16)23(32-24(22)28)17-6-10-19(27)11-7-17/h2-13H,14,28H2,1H3,(H,29,30)
InChIKeyIGFMOKSIQZBYBO-UHFFFAOYSA-N
MW483.42 g/mol
LogP6.91
Rot. Bonds6

About 2-amino-4,5-bis(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-3-carboxamide

2-amino-4,5-bis(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-3-carboxamide (PubChem CID 71658068) has the molecular formula C25H20Cl2N2O2S and a molecular weight of 483.42 g/mol. Its IUPAC name is 2-amino-4,5-bis(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-4,5-bis(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-3-carboxamide
PubChem CID71658068
Molecular FormulaC25H20Cl2N2O2S
Molecular Weight483.42 g/mol
Exact Mass482.06
IUPAC Name2-amino-4,5-bis(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(N)sc(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H20Cl2N2O2S/c1-31-20-12-2-15(3-13-20)14-29-25(30)22-21(16-4-8-18(26)9-5-16)23(32-24(22)28)17-6-10-19(27)11-7-17/h2-13H,14,28H2,1H3,(H,29,30)
InChIKeyIGFMOKSIQZBYBO-UHFFFAOYSA-N
XLogP6.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.42
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-bis(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-3-carboxamide?
The IUPAC name of 2-amino-4,5-bis(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-3-carboxamide (CID 71658068) is 2-amino-4,5-bis(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-amino-4,5-bis(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 2-amino-4,5-bis(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-3-carboxamide is COc1ccc(CNC(=O)c2c(N)sc(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-amino-4,5-bis(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-3-carboxamide?
The InChIKey is IGFMOKSIQZBYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N2O2S/c1-31-20-12-2-15(3-13-20)14-29-25(30)22-21(16-4-8-18(26)9-5-16)23(32-24(22)28)17-6-10-19(27)11-7-17/h2-13H,14,28H2,1H3,(H,29,30).
What are the key properties of 2-amino-4,5-bis(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-3-carboxamide?
2-amino-4,5-bis(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-3-carboxamide has a molecular weight of 483.42 g/mol, XLogP of 6.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-bis(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 71658068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).