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

C19H20FNO4S — CID 120547552

IUPAC2-[[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid
SMILESCc1sc(C(=O)NC(C(=O)O)C2CCCOC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C19H20FNO4S/c1-11-15(12-4-6-14(20)7-5-12)9-16(26-11)18(22)21-17(19(23)24)13-3-2-8-25-10-13/h4-7,9,13,17H,2-3,8,10H2,1H3,(H,21,22)(H,23,24)
InChIKeyHYYHAEIKAKXBLP-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.47
Rot. Bonds5

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

2-[[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid (PubChem CID 120547552) has the molecular formula C19H20FNO4S and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid
PubChem CID120547552
Molecular FormulaC19H20FNO4S
Molecular Weight377.44 g/mol
Exact Mass377.11
IUPAC Name2-[[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid
SMILESCc1sc(C(=O)NC(C(=O)O)C2CCCOC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C19H20FNO4S/c1-11-15(12-4-6-14(20)7-5-12)9-16(26-11)18(22)21-17(19(23)24)13-3-2-8-25-10-13/h4-7,9,13,17H,2-3,8,10H2,1H3,(H,21,22)(H,23,24)
InChIKeyHYYHAEIKAKXBLP-UHFFFAOYSA-N
XLogP3.47
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid?
The IUPAC name of 2-[[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid (CID 120547552) is 2-[[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid?
The canonical SMILES for 2-[[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid is Cc1sc(C(=O)NC(C(=O)O)C2CCCOC2)cc1-c1ccc(F)cc1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid?
The InChIKey is HYYHAEIKAKXBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4S/c1-11-15(12-4-6-14(20)7-5-12)9-16(26-11)18(22)21-17(19(23)24)13-3-2-8-25-10-13/h4-7,9,13,17H,2-3,8,10H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid?
2-[[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid has a molecular weight of 377.44 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid is sourced from PubChem (CID 120547552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).