5-[3-(2-methoxyphenyl)propanoylamino]thiophene-2-carboxylic acid

C15H15NO4S — CID 43474464

IUPAC5-[3-(2-methoxyphenyl)propanoylamino]thiophene-2-carboxylic acid
SMILESCOc1ccccc1CCC(=O)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C15H15NO4S/c1-20-11-5-3-2-4-10(11)6-8-13(17)16-14-9-7-12(21-14)15(18)19/h2-5,7,9H,6,8H2,1H3,(H,16,17)(H,18,19)
InChIKeySAINVXVQCMUEQY-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.03
Rot. Bonds6

About 5-[3-(2-methoxyphenyl)propanoylamino]thiophene-2-carboxylic acid

5-[3-(2-methoxyphenyl)propanoylamino]thiophene-2-carboxylic acid (PubChem CID 43474464) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-[3-(2-methoxyphenyl)propanoylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(2-methoxyphenyl)propanoylamino]thiophene-2-carboxylic acid
PubChem CID43474464
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name5-[3-(2-methoxyphenyl)propanoylamino]thiophene-2-carboxylic acid
SMILESCOc1ccccc1CCC(=O)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C15H15NO4S/c1-20-11-5-3-2-4-10(11)6-8-13(17)16-14-9-7-12(21-14)15(18)19/h2-5,7,9H,6,8H2,1H3,(H,16,17)(H,18,19)
InChIKeySAINVXVQCMUEQY-UHFFFAOYSA-N
XLogP3.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(2-hydroxyphenyl)propanoylamino]thiophene-2-carboxylic acid
CID 43474524
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
N-(2,6-diethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 51143891
methyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate
CID 17360384
3-(2-methoxyphenyl)-N-sulfanylpropanamide
CID 134582208
N-(2-benzylphenyl)-3-(2-methoxyphenyl)propanamide
CID 8023813
2-[4-[3-(2-methoxyphenyl)propanoylamino]phenyl]acetic acid
CID 17362890
2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
CID 43091942
3-(2-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2102534
5-[3-(2,4-dichlorophenyl)propanoylamino]thiophene-2-carboxylic acid
CID 43474341
N-(2-chloro-4,5-dimethoxyphenyl)-3-(2-methoxyphenyl)propanamide
CID 17461303

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methoxyphenyl)propanoylamino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[3-(2-methoxyphenyl)propanoylamino]thiophene-2-carboxylic acid (CID 43474464) is 5-[3-(2-methoxyphenyl)propanoylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[3-(2-methoxyphenyl)propanoylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[3-(2-methoxyphenyl)propanoylamino]thiophene-2-carboxylic acid is COc1ccccc1CCC(=O)Nc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[3-(2-methoxyphenyl)propanoylamino]thiophene-2-carboxylic acid?
The InChIKey is SAINVXVQCMUEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-20-11-5-3-2-4-10(11)6-8-13(17)16-14-9-7-12(21-14)15(18)19/h2-5,7,9H,6,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[3-(2-methoxyphenyl)propanoylamino]thiophene-2-carboxylic acid?
5-[3-(2-methoxyphenyl)propanoylamino]thiophene-2-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methoxyphenyl)propanoylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43474464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).