2-[(3-chloro-2-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid

C13H11ClN2O3S — CID 63113551

IUPAC2-[(3-chloro-2-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
SMILESCc1c(Cl)cccc1NC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C13H11ClN2O3S/c1-7-9(14)3-2-4-10(7)15-13(19)16-11-8(12(17)18)5-6-20-11/h2-6H,1H3,(H,17,18)(H2,15,16,19)
InChIKeyMQQAPZIWMJIJIY-UHFFFAOYSA-N
MW310.76 g/mol
LogP4.05
Rot. Bonds3

About 2-[(3-chloro-2-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid

2-[(3-chloro-2-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid (PubChem CID 63113551) has the molecular formula C13H11ClN2O3S and a molecular weight of 310.76 g/mol. Its IUPAC name is 2-[(3-chloro-2-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-chloro-2-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
PubChem CID63113551
Molecular FormulaC13H11ClN2O3S
Molecular Weight310.76 g/mol
Exact Mass310.02
IUPAC Name2-[(3-chloro-2-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
SMILESCc1c(Cl)cccc1NC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C13H11ClN2O3S/c1-7-9(14)3-2-4-10(7)15-13(19)16-11-8(12(17)18)5-6-20-11/h2-6H,1H3,(H,17,18)(H2,15,16,19)
InChIKeyMQQAPZIWMJIJIY-UHFFFAOYSA-N
XLogP4.05
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
2-[(3-hydroxy-2,4-dimethylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63114163
1-(3-chloro-2-methylphenyl)-3-thiophen-2-ylurea
CID 20886019
2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 16771814
2-[(2-iodophenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 55179434
2-[(3-chloro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 43515064
1-(3-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 19165606
2-[(2-fluoro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113969
2-[(4-bromo-2-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113553
2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]thiophene-3-carboxylic acid
CID 102806241
1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
CID 108886097
2-[(2,3,4-trifluorophenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113570

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(3-chloro-2-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid (CID 63113551) is 2-[(3-chloro-2-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(3-chloro-2-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(3-chloro-2-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid is Cc1c(Cl)cccc1NC(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[(3-chloro-2-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid?
The InChIKey is MQQAPZIWMJIJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3S/c1-7-9(14)3-2-4-10(7)15-13(19)16-11-8(12(17)18)5-6-20-11/h2-6H,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(3-chloro-2-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid?
2-[(3-chloro-2-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid has a molecular weight of 310.76 g/mol, XLogP of 4.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63113551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).