2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid

C14H13NO3S — CID 79018523

IUPAC2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
SMILESCc1cccc(C(=O)NC(C(=O)O)c2cccs2)c1
InChIInChI=1S/C14H13NO3S/c1-9-4-2-5-10(8-9)13(16)15-12(14(17)18)11-6-3-7-19-11/h2-8,12H,1H3,(H,15,16)(H,17,18)
InChIKeyBMDWGRHFHZUOBV-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.61
Rot. Bonds4

About 2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid

2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid (PubChem CID 79018523) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
PubChem CID79018523
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
SMILESCc1cccc(C(=O)NC(C(=O)O)c2cccs2)c1
InChIInChI=1S/C14H13NO3S/c1-9-4-2-5-10(8-9)13(16)15-12(14(17)18)11-6-3-7-19-11/h2-8,12H,1H3,(H,15,16)(H,17,18)
InChIKeyBMDWGRHFHZUOBV-UHFFFAOYSA-N
XLogP2.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918060
2-[(5-methylpyridine-3-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115284033
3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051719
2-[(3,5-dibromobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107971632
2-(pyridine-3-carbonylamino)-2-thiophen-2-ylacetic acid
CID 113278603
2-[(3-bromo-4-chlorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107998044
2-[(3-fluoro-4-methoxybenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 115283909
N-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide
CID 82121701
2-[(5-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 82883193
2-[(3-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107096030
3-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]benzoic acid
CID 51704015
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid (CID 79018523) is 2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid is Cc1cccc(C(=O)NC(C(=O)O)c2cccs2)c1.
What is the InChIKey of 2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid?
The InChIKey is BMDWGRHFHZUOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-9-4-2-5-10(8-9)13(16)15-12(14(17)18)11-6-3-7-19-11/h2-8,12H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid?
2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid has a molecular weight of 275.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 79018523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).