5-[(3-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid

C13H11ClN2O3S — CID 16770990

IUPAC5-[(3-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)O
InChIInChI=1S/C13H11ClN2O3S/c1-7-5-10(20-11(7)12(17)18)16-13(19)15-9-4-2-3-8(14)6-9/h2-6H,1H3,(H,17,18)(H2,15,16,19)
InChIKeyBSZNUDLIWBHBKB-UHFFFAOYSA-N
MW310.76 g/mol
LogP4.05
Rot. Bonds3

About 5-[(3-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid

5-[(3-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid (PubChem CID 16770990) has the molecular formula C13H11ClN2O3S and a molecular weight of 310.76 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
PubChem CID16770990
Molecular FormulaC13H11ClN2O3S
Molecular Weight310.76 g/mol
Exact Mass310.02
IUPAC Name5-[(3-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)O
InChIInChI=1S/C13H11ClN2O3S/c1-7-5-10(20-11(7)12(17)18)16-13(19)15-9-4-2-3-8(14)6-9/h2-6H,1H3,(H,17,18)(H2,15,16,19)
InChIKeyBSZNUDLIWBHBKB-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

5-[(3,5-dichlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
CID 107653080
5-[(3-chloro-4-methylphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
CID 43515062
1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)carbamoylamino]-2,4,6-trimethylphenyl]urea
CID 4085959
5-[(2-bromo-4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 107986401
5-[(2-methoxyphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
CID 16776144
4-[(3-chlorophenyl)carbamoylamino]benzenesulfonic acid
CID 108869978
5-[(2-chloro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 106860463
5-[(2-chloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
CID 113258936
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
1-(3-chlorophenyl)-3-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]urea
CID 16897412
1-(3-chlorophenyl)-3-(3-cyano-4,5-dimethylthiophen-2-yl)urea
CID 3347051
3-methyl-5-[(3-methylsulfonylbenzoyl)amino]thiophene-2-carboxylic acid
CID 16770376

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(3-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid (CID 16770990) is 5-[(3-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid is Cc1cc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)O.
What is the InChIKey of 5-[(3-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is BSZNUDLIWBHBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3S/c1-7-5-10(20-11(7)12(17)18)16-13(19)15-9-4-2-3-8(14)6-9/h2-6H,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 5-[(3-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid?
5-[(3-chlorophenyl)carbamoylamino]-3-methylthiophene-2-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 5-[(3-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 16770990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).