2-(3,4-dichlorophenyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylic acid

C20H15Cl2NO4S — CID 58191116

IUPAC2-(3,4-dichlorophenyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylic acid
SMILESCOc1ccc(CC(=O)Nc2csc(-c3ccc(Cl)c(Cl)c3)c2C(=O)O)cc1
InChIInChI=1S/C20H15Cl2NO4S/c1-27-13-5-2-11(3-6-13)8-17(24)23-16-10-28-19(18(16)20(25)26)12-4-7-14(21)15(22)9-12/h2-7,9-10H,8H2,1H3,(H,23,24)(H,25,26)
InChIKeyNDXRGBXGNBSADU-UHFFFAOYSA-N
MW436.32 g/mol
LogP5.61
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylic acid

2-(3,4-dichlorophenyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylic acid (PubChem CID 58191116) has the molecular formula C20H15Cl2NO4S and a molecular weight of 436.32 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylic acid
PubChem CID58191116
Molecular FormulaC20H15Cl2NO4S
Molecular Weight436.32 g/mol
Exact Mass435.01
IUPAC Name2-(3,4-dichlorophenyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylic acid
SMILESCOc1ccc(CC(=O)Nc2csc(-c3ccc(Cl)c(Cl)c3)c2C(=O)O)cc1
InChIInChI=1S/C20H15Cl2NO4S/c1-27-13-5-2-11(3-6-13)8-17(24)23-16-10-28-19(18(16)20(25)26)12-4-7-14(21)15(22)9-12/h2-7,9-10H,8H2,1H3,(H,23,24)(H,25,26)
InChIKeyNDXRGBXGNBSADU-UHFFFAOYSA-N
XLogP5.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.32
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dichlorophenyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylic acid with MolForge

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Related Compounds

2-(4-methoxyphenyl)-4-[(2,4,6-trichloro-3-methoxybenzoyl)amino]thiophene-3-carboxylic acid
CID 87250423
2-(4-methoxyphenyl)-4-[(2,3,5-triiodo-4-methoxybenzoyl)amino]thiophene-3-carboxylic acid
CID 87250545
2-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8748052
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one
CID 39445145
2-(4-methoxyphenyl)-4-[(2,3,5-tribromo-4-methoxybenzoyl)amino]thiophene-3-carboxylic acid
CID 87250530
N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 893789
5-hydroxy-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid
CID 578470
5-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid
CID 29045288
N-(2-bromo-4-chlorophenyl)-2-(4-methoxyphenyl)acetamide
CID 81028782
2-(4-chlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4244031
N-(2-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 154796139
2-(4-methoxyphenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2978424

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-(3,4-dichlorophenyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylic acid (CID 58191116) is 2-(3,4-dichlorophenyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylic acid is COc1ccc(CC(=O)Nc2csc(-c3ccc(Cl)c(Cl)c3)c2C(=O)O)cc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylic acid?
The InChIKey is NDXRGBXGNBSADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2NO4S/c1-27-13-5-2-11(3-6-13)8-17(24)23-16-10-28-19(18(16)20(25)26)12-4-7-14(21)15(22)9-12/h2-7,9-10H,8H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-(3,4-dichlorophenyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylic acid?
2-(3,4-dichlorophenyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylic acid has a molecular weight of 436.32 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 58191116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).