2-[2-[[(4-methylthiophene-3-carbonyl)amino]methyl]phenyl]acetic acid

C15H15NO3S — CID 81317829

IUPAC2-[2-[[(4-methylthiophene-3-carbonyl)amino]methyl]phenyl]acetic acid
SMILESCc1cscc1C(=O)NCc1ccccc1CC(=O)O
InChIInChI=1S/C15H15NO3S/c1-10-8-20-9-13(10)15(19)16-7-12-5-3-2-4-11(12)6-14(17)18/h2-5,8-9H,6-7H2,1H3,(H,16,19)(H,17,18)
InChIKeyOJVZARXIUJEADK-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.61
Rot. Bonds5

About 2-[2-[[(4-methylthiophene-3-carbonyl)amino]methyl]phenyl]acetic acid

2-[2-[[(4-methylthiophene-3-carbonyl)amino]methyl]phenyl]acetic acid (PubChem CID 81317829) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-[2-[[(4-methylthiophene-3-carbonyl)amino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[(4-methylthiophene-3-carbonyl)amino]methyl]phenyl]acetic acid
PubChem CID81317829
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name2-[2-[[(4-methylthiophene-3-carbonyl)amino]methyl]phenyl]acetic acid
SMILESCc1cscc1C(=O)NCc1ccccc1CC(=O)O
InChIInChI=1S/C15H15NO3S/c1-10-8-20-9-13(10)15(19)16-7-12-5-3-2-4-11(12)6-14(17)18/h2-5,8-9H,6-7H2,1H3,(H,16,19)(H,17,18)
InChIKeyOJVZARXIUJEADK-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[(5-bromo-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]acetic acid
CID 81313381
4-methyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-carboxamide
CID 79777228
4-methyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide
CID 79777719
2-(2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanone
CID 79803189
2-[2-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]acetic acid
CID 81311652
3-[5-[[(4-methylthiophene-3-carbonyl)amino]methyl]thiophen-2-yl]prop-2-enoic acid
CID 79808756
5-fluoro-2-hydroxy-N-[(4-methylthiophen-3-yl)methyl]benzamide
CID 115299175
2-benzamido-N-[(2-methylphenyl)methyl]benzamide
CID 9488926
2-[2-[[(3-hydroxypyridine-4-carbonyl)amino]methyl]phenyl]acetic acid
CID 81439005
2-[2-[(pyridine-4-carbonylamino)methyl]phenyl]acetic acid
CID 81317965
2-[2-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]phenyl]acetic acid
CID 81312082
(2S)-2-amino-N-[(4-methylthiophen-3-yl)methyl]-2-phenylacetamide
CID 104898150

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(4-methylthiophene-3-carbonyl)amino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[(4-methylthiophene-3-carbonyl)amino]methyl]phenyl]acetic acid (CID 81317829) is 2-[2-[[(4-methylthiophene-3-carbonyl)amino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[(4-methylthiophene-3-carbonyl)amino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[(4-methylthiophene-3-carbonyl)amino]methyl]phenyl]acetic acid is Cc1cscc1C(=O)NCc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[[(4-methylthiophene-3-carbonyl)amino]methyl]phenyl]acetic acid?
The InChIKey is OJVZARXIUJEADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-10-8-20-9-13(10)15(19)16-7-12-5-3-2-4-11(12)6-14(17)18/h2-5,8-9H,6-7H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-[2-[[(4-methylthiophene-3-carbonyl)amino]methyl]phenyl]acetic acid?
2-[2-[[(4-methylthiophene-3-carbonyl)amino]methyl]phenyl]acetic acid has a molecular weight of 289.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(4-methylthiophene-3-carbonyl)amino]methyl]phenyl]acetic acid is sourced from PubChem (CID 81317829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).