3-[3-(2-methylphenyl)propanoylamino]thiophene-2-carboxylic acid

C15H15NO3S — CID 62367247

IUPAC3-[3-(2-methylphenyl)propanoylamino]thiophene-2-carboxylic acid
SMILESCc1ccccc1CCC(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C15H15NO3S/c1-10-4-2-3-5-11(10)6-7-13(17)16-12-8-9-20-14(12)15(18)19/h2-5,8-9H,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyBPNYKCMSGGLGSM-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.33
Rot. Bonds5

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

3-[3-(2-methylphenyl)propanoylamino]thiophene-2-carboxylic acid (PubChem CID 62367247) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-[3-(2-methylphenyl)propanoylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[3-(2-methylphenyl)propanoylamino]thiophene-2-carboxylic acid
PubChem CID62367247
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name3-[3-(2-methylphenyl)propanoylamino]thiophene-2-carboxylic acid
SMILESCc1ccccc1CCC(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C15H15NO3S/c1-10-4-2-3-5-11(10)6-7-13(17)16-12-8-9-20-14(12)15(18)19/h2-5,8-9H,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyBPNYKCMSGGLGSM-UHFFFAOYSA-N
XLogP3.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[3-(2-methylphenyl)propanoylamino]benzoic acid
CID 141008006
3-(3-methylsulfonylpropanoylamino)thiophene-2-carboxylic acid
CID 43358015
3-(2-methylpropanoylamino)thiophene-2-carboxylic acid
CID 16773737
N-(2-bromo-3-pyridinyl)-3-(2-methylphenyl)propanamide
CID 103819476
3-(2-fluorophenyl)-N-(2-methylphenyl)propanamide
CID 9394717
3-(5-naphthalen-2-ylpentanoylamino)thiophene-2-carboxylic acid
CID 24765200
3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 31250662
4-[3-(2-methylphenyl)propanoylamino]pyridine-2-carboxylic acid
CID 63651301
N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide
CID 94268169
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871
3-(2-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
CID 121166173
2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)acetyl]amino]phenyl]acetamide
CID 26164464

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylphenyl)propanoylamino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[3-(2-methylphenyl)propanoylamino]thiophene-2-carboxylic acid (CID 62367247) is 3-[3-(2-methylphenyl)propanoylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[3-(2-methylphenyl)propanoylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[3-(2-methylphenyl)propanoylamino]thiophene-2-carboxylic acid is Cc1ccccc1CCC(=O)Nc1ccsc1C(=O)O.
What is the InChIKey of 3-[3-(2-methylphenyl)propanoylamino]thiophene-2-carboxylic acid?
The InChIKey is BPNYKCMSGGLGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-10-4-2-3-5-11(10)6-7-13(17)16-12-8-9-20-14(12)15(18)19/h2-5,8-9H,6-7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[3-(2-methylphenyl)propanoylamino]thiophene-2-carboxylic acid?
3-[3-(2-methylphenyl)propanoylamino]thiophene-2-carboxylic acid has a molecular weight of 289.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylphenyl)propanoylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 62367247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).