5-(3,4-dichlorophenyl)-3-(propan-2-ylcarbamoylamino)thiophene-2-carboxylic acid

C15H14Cl2N2O3S — CID 71739952

IUPAC5-(3,4-dichlorophenyl)-3-(propan-2-ylcarbamoylamino)thiophene-2-carboxylic acid
SMILESCC(C)NC(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O
InChIInChI=1S/C15H14Cl2N2O3S/c1-7(2)18-15(22)19-11-6-12(23-13(11)14(20)21)8-3-4-9(16)10(17)5-8/h3-7H,1-2H3,(H,20,21)(H2,18,19,22)
InChIKeyPRSSQOSLTGNGCP-UHFFFAOYSA-N
MW373.26 g/mol
LogP4.95
Rot. Bonds4

About 5-(3,4-dichlorophenyl)-3-(propan-2-ylcarbamoylamino)thiophene-2-carboxylic acid

5-(3,4-dichlorophenyl)-3-(propan-2-ylcarbamoylamino)thiophene-2-carboxylic acid (PubChem CID 71739952) has the molecular formula C15H14Cl2N2O3S and a molecular weight of 373.26 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-3-(propan-2-ylcarbamoylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-3-(propan-2-ylcarbamoylamino)thiophene-2-carboxylic acid
PubChem CID71739952
Molecular FormulaC15H14Cl2N2O3S
Molecular Weight373.26 g/mol
Exact Mass372.01
IUPAC Name5-(3,4-dichlorophenyl)-3-(propan-2-ylcarbamoylamino)thiophene-2-carboxylic acid
SMILESCC(C)NC(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O
InChIInChI=1S/C15H14Cl2N2O3S/c1-7(2)18-15(22)19-11-6-12(23-13(11)14(20)21)8-3-4-9(16)10(17)5-8/h3-7H,1-2H3,(H,20,21)(H2,18,19,22)
InChIKeyPRSSQOSLTGNGCP-UHFFFAOYSA-N
XLogP4.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-3-(propan-2-ylcarbamoylamino)thiophene-2-carboxylic acid?
The IUPAC name of 5-(3,4-dichlorophenyl)-3-(propan-2-ylcarbamoylamino)thiophene-2-carboxylic acid (CID 71739952) is 5-(3,4-dichlorophenyl)-3-(propan-2-ylcarbamoylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-3-(propan-2-ylcarbamoylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(3,4-dichlorophenyl)-3-(propan-2-ylcarbamoylamino)thiophene-2-carboxylic acid is CC(C)NC(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O.
What is the InChIKey of 5-(3,4-dichlorophenyl)-3-(propan-2-ylcarbamoylamino)thiophene-2-carboxylic acid?
The InChIKey is PRSSQOSLTGNGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3S/c1-7(2)18-15(22)19-11-6-12(23-13(11)14(20)21)8-3-4-9(16)10(17)5-8/h3-7H,1-2H3,(H,20,21)(H2,18,19,22).
What are the key properties of 5-(3,4-dichlorophenyl)-3-(propan-2-ylcarbamoylamino)thiophene-2-carboxylic acid?
5-(3,4-dichlorophenyl)-3-(propan-2-ylcarbamoylamino)thiophene-2-carboxylic acid has a molecular weight of 373.26 g/mol, XLogP of 4.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-3-(propan-2-ylcarbamoylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 71739952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).