5-[(3-chloro-4-methylphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid

C14H13ClN2O3S — CID 43515062

IUPAC5-[(3-chloro-4-methylphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
SMILESCc1ccc(NC(=O)Nc2cc(C)c(C(=O)O)s2)cc1Cl
InChIInChI=1S/C14H13ClN2O3S/c1-7-3-4-9(6-10(7)15)16-14(20)17-11-5-8(2)12(21-11)13(18)19/h3-6H,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyYVSWCSBBTAWPBV-UHFFFAOYSA-N
MW324.79 g/mol
LogP4.36
Rot. Bonds3

About 5-[(3-chloro-4-methylphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid

5-[(3-chloro-4-methylphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid (PubChem CID 43515062) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 5-[(3-chloro-4-methylphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-chloro-4-methylphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
PubChem CID43515062
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name5-[(3-chloro-4-methylphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
SMILESCc1ccc(NC(=O)Nc2cc(C)c(C(=O)O)s2)cc1Cl
InChIInChI=1S/C14H13ClN2O3S/c1-7-3-4-9(6-10(7)15)16-14(20)17-11-5-8(2)12(21-11)13(18)19/h3-6H,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyYVSWCSBBTAWPBV-UHFFFAOYSA-N
XLogP4.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
CID 16770990
5-[(3,5-dichlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
CID 107653080
5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 28550112
1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 64787332
5-[(2-chloro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 106860463
1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea
CID 108866984
1-(4-tert-butylphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 108884728
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)urea
CID 727838
1-(3-chloro-4-methylphenyl)-3-(methylamino)urea
CID 126971586
2-[(3-chloro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 43515064
4-[(3-chloro-4-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63651885
5-[(5,6-dichloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
CID 43356628

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-methylphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(3-chloro-4-methylphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid (CID 43515062) is 5-[(3-chloro-4-methylphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3-chloro-4-methylphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3-chloro-4-methylphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid is Cc1ccc(NC(=O)Nc2cc(C)c(C(=O)O)s2)cc1Cl.
What is the InChIKey of 5-[(3-chloro-4-methylphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is YVSWCSBBTAWPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-7-3-4-9(6-10(7)15)16-14(20)17-11-5-8(2)12(21-11)13(18)19/h3-6H,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 5-[(3-chloro-4-methylphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid?
5-[(3-chloro-4-methylphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid has a molecular weight of 324.79 g/mol, XLogP of 4.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-methylphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 43515062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).