2-[[5-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-carbonyl]amino]acetic acid

C16H16FNO4S — CID 167771866

IUPAC2-[[5-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-carbonyl]amino]acetic acid
SMILESCC(C)Oc1ccc(-c2ccc(C(=O)NCC(=O)O)s2)cc1F
InChIInChI=1S/C16H16FNO4S/c1-9(2)22-12-4-3-10(7-11(12)17)13-5-6-14(23-13)16(21)18-8-15(19)20/h3-7,9H,8H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyLCEZWVXNRLSGGI-UHFFFAOYSA-N
MW337.37 g/mol
LogP3.16
Rot. Bonds6

About 2-[[5-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-carbonyl]amino]acetic acid

2-[[5-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-carbonyl]amino]acetic acid (PubChem CID 167771866) has the molecular formula C16H16FNO4S and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-[[5-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-carbonyl]amino]acetic acid
PubChem CID167771866
Molecular FormulaC16H16FNO4S
Molecular Weight337.37 g/mol
Exact Mass337.08
IUPAC Name2-[[5-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-carbonyl]amino]acetic acid
SMILESCC(C)Oc1ccc(-c2ccc(C(=O)NCC(=O)O)s2)cc1F
InChIInChI=1S/C16H16FNO4S/c1-9(2)22-12-4-3-10(7-11(12)17)13-5-6-14(23-13)16(21)18-8-15(19)20/h3-7,9H,8H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyLCEZWVXNRLSGGI-UHFFFAOYSA-N
XLogP3.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-fluoro-4-propan-2-yloxyphenyl)methylamino]acetic acid
CID 98784176
3-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]butanoic acid
CID 82543076
5-(3,4-difluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]thiophene-2-carboxamide
CID 92758248
5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 46083095
3-[[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]amino]butanoic acid
CID 119221199
(E)-3-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]but-2-enoic acid
CID 82543862
5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263
5-(4-propan-2-yloxyphenyl)thiophene-2-carboxylic acid
CID 28941882
5-(4-bromophenyl)-N-(2-hydroxypropyl)thiophene-2-carboxamide
CID 110889607
5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 18145657
2-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpropanoic acid
CID 82292742
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-2-(5-methylthiophen-2-yl)acetamide
CID 71932817

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-carbonyl]amino]acetic acid (CID 167771866) is 2-[[5-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-carbonyl]amino]acetic acid is CC(C)Oc1ccc(-c2ccc(C(=O)NCC(=O)O)s2)cc1F.
What is the InChIKey of 2-[[5-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-carbonyl]amino]acetic acid?
The InChIKey is LCEZWVXNRLSGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4S/c1-9(2)22-12-4-3-10(7-11(12)17)13-5-6-14(23-13)16(21)18-8-15(19)20/h3-7,9H,8H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 2-[[5-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-carbonyl]amino]acetic acid?
2-[[5-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-carbonyl]amino]acetic acid has a molecular weight of 337.37 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 167771866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).