5-(4-methoxyphenyl)-N,N-dimethyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide

C21H21NO2S2 — CID 23372701

IUPAC5-(4-methoxyphenyl)-N,N-dimethyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2sc(C(=O)N(C)C)cc2-c2ccc(SC)cc2)cc1
InChIInChI=1S/C21H21NO2S2/c1-22(2)21(23)19-13-18(14-7-11-17(25-4)12-8-14)20(26-19)15-5-9-16(24-3)10-6-15/h5-13H,1-4H3
InChIKeyNMFTVBNSFUDBBB-UHFFFAOYSA-N
MW383.54 g/mol
LogP5.51
Rot. Bonds5

About 5-(4-methoxyphenyl)-N,N-dimethyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide

5-(4-methoxyphenyl)-N,N-dimethyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide (PubChem CID 23372701) has the molecular formula C21H21NO2S2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N,N-dimethyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N,N-dimethyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide
PubChem CID23372701
Molecular FormulaC21H21NO2S2
Molecular Weight383.54 g/mol
Exact Mass383.10
IUPAC Name5-(4-methoxyphenyl)-N,N-dimethyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2sc(C(=O)N(C)C)cc2-c2ccc(SC)cc2)cc1
InChIInChI=1S/C21H21NO2S2/c1-22(2)21(23)19-13-18(14-7-11-17(25-4)12-8-14)20(26-19)15-5-9-16(24-3)10-6-15/h5-13H,1-4H3
InChIKeyNMFTVBNSFUDBBB-UHFFFAOYSA-N
XLogP5.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-methoxyphenyl)-N,N-dimethyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N,N-dimethyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N,N-dimethyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide (CID 23372701) is 5-(4-methoxyphenyl)-N,N-dimethyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N,N-dimethyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N,N-dimethyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide is COc1ccc(-c2sc(C(=O)N(C)C)cc2-c2ccc(SC)cc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N,N-dimethyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide?
The InChIKey is NMFTVBNSFUDBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S2/c1-22(2)21(23)19-13-18(14-7-11-17(25-4)12-8-14)20(26-19)15-5-9-16(24-3)10-6-15/h5-13H,1-4H3.
What are the key properties of 5-(4-methoxyphenyl)-N,N-dimethyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide?
5-(4-methoxyphenyl)-N,N-dimethyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N,N-dimethyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 23372701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).