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

C14H12FNO3S — CID 53216107

IUPAC2-(4-fluorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid
SMILESCc1ccsc1C(=O)NC(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C14H12FNO3S/c1-8-6-7-20-12(8)13(17)16-11(14(18)19)9-2-4-10(15)5-3-9/h2-7,11H,1H3,(H,16,17)(H,18,19)
InChIKeyLHVLKMHOGKJTHX-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.75
Rot. Bonds4

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

2-(4-fluorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid (PubChem CID 53216107) has the molecular formula C14H12FNO3S and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid
PubChem CID53216107
Molecular FormulaC14H12FNO3S
Molecular Weight293.32 g/mol
Exact Mass293.05
IUPAC Name2-(4-fluorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid
SMILESCc1ccsc1C(=O)NC(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C14H12FNO3S/c1-8-6-7-20-12(8)13(17)16-11(14(18)19)9-2-4-10(15)5-3-9/h2-7,11H,1H3,(H,16,17)(H,18,19)
InChIKeyLHVLKMHOGKJTHX-UHFFFAOYSA-N
XLogP2.75
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-methylthiophene-2-carboxamide
CID 110281862
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid
CID 95204371
2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid
CID 43387169
(2R)-2-(2-chlorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid
CID 107314389
2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid
CID 74586861
(4R)-4-[(3-methylthiophene-2-carbonyl)amino]pentanoic acid
CID 95332881
4-methoxy-2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid
CID 62479640
N-[(2S)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide
CID 130616224
N-[(2R)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide
CID 104872952
N-(3,5-difluorophenyl)-3-methylthiophene-2-carboxamide
CID 27906837
N-(1-chloropropan-2-yl)-3-methylthiophene-2-carboxamide
CID 114299504
N-[2-(dimethylamino)-1-phenylethyl]-3-methylthiophene-2-carboxamide
CID 86909665

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-(4-fluorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid (CID 53216107) is 2-(4-fluorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-(4-fluorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid is Cc1ccsc1C(=O)NC(C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid?
The InChIKey is LHVLKMHOGKJTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3S/c1-8-6-7-20-12(8)13(17)16-11(14(18)19)9-2-4-10(15)5-3-9/h2-7,11H,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-(4-fluorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid?
2-(4-fluorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 53216107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).