2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid

C18H18FNO4S — CID 120548114

IUPAC2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid
SMILESO=C(NC(C(=O)O)C1CCCOC1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H18FNO4S/c19-13-5-3-11(4-6-13)14-7-8-15(25-14)17(21)20-16(18(22)23)12-2-1-9-24-10-12/h3-8,12,16H,1-2,9-10H2,(H,20,21)(H,22,23)
InChIKeyVVFVUKZLBHFDJI-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.16
Rot. Bonds5

About 2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid

2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid (PubChem CID 120548114) has the molecular formula C18H18FNO4S and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid
PubChem CID120548114
Molecular FormulaC18H18FNO4S
Molecular Weight363.41 g/mol
Exact Mass363.09
IUPAC Name2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid
SMILESO=C(NC(C(=O)O)C1CCCOC1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H18FNO4S/c19-13-5-3-11(4-6-13)14-7-8-15(25-14)17(21)20-16(18(22)23)12-2-1-9-24-10-12/h3-8,12,16H,1-2,9-10H2,(H,20,21)(H,22,23)
InChIKeyVVFVUKZLBHFDJI-UHFFFAOYSA-N
XLogP3.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547552
2-[[5-(5-methylfuran-2-yl)thiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548903
2-[(4-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120549071
N-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 30796420
5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263
2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547481
(2S)-2-[[(1S,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-[(3S)-oxan-3-yl]acetic acid
CID 129469510
(2R)-2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]pentanedioic acid
CID 40815364
2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547720
(2R)-2-[(4-cyclobutylbenzoyl)amino]-2-[(3S)-oxan-3-yl]acetic acid
CID 129469945
2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-2-(oxan-3-yl)acetic acid
CID 120548221
2-[(3,5-dimethylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547871

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid?
The IUPAC name of 2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid (CID 120548114) is 2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid?
The canonical SMILES for 2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid is O=C(NC(C(=O)O)C1CCCOC1)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid?
The InChIKey is VVFVUKZLBHFDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4S/c19-13-5-3-11(4-6-13)14-7-8-15(25-14)17(21)20-16(18(22)23)12-2-1-9-24-10-12/h3-8,12,16H,1-2,9-10H2,(H,20,21)(H,22,23).
What are the key properties of 2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid?
2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid has a molecular weight of 363.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid is sourced from PubChem (CID 120548114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).