2-[4-[[4-(4-methoxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetic acid

C20H17NO4S — CID 10338959

IUPAC2-[4-[[4-(4-methoxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetic acid
SMILESCOc1ccc(-c2csc(C(=O)Nc3ccc(CC(=O)O)cc3)c2)cc1
InChIInChI=1S/C20H17NO4S/c1-25-17-8-4-14(5-9-17)15-11-18(26-12-15)20(24)21-16-6-2-13(3-7-16)10-19(22)23/h2-9,11-12H,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyDFYWKBMCRHLHFD-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.30
Rot. Bonds6

About 2-[4-[[4-(4-methoxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetic acid

2-[4-[[4-(4-methoxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetic acid (PubChem CID 10338959) has the molecular formula C20H17NO4S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-[4-[[4-(4-methoxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[4-(4-methoxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetic acid
PubChem CID10338959
Molecular FormulaC20H17NO4S
Molecular Weight367.43 g/mol
Exact Mass367.09
IUPAC Name2-[4-[[4-(4-methoxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetic acid
SMILESCOc1ccc(-c2csc(C(=O)Nc3ccc(CC(=O)O)cc3)c2)cc1
InChIInChI=1S/C20H17NO4S/c1-25-17-8-4-14(5-9-17)15-11-18(26-12-15)20(24)21-16-6-2-13(3-7-16)10-19(22)23/h2-9,11-12H,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyDFYWKBMCRHLHFD-UHFFFAOYSA-N
XLogP4.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(4-methoxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[[4-(4-methoxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetic acid (CID 10338959) is 2-[4-[[4-(4-methoxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[4-(4-methoxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[4-(4-methoxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetic acid is COc1ccc(-c2csc(C(=O)Nc3ccc(CC(=O)O)cc3)c2)cc1.
What is the InChIKey of 2-[4-[[4-(4-methoxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetic acid?
The InChIKey is DFYWKBMCRHLHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4S/c1-25-17-8-4-14(5-9-17)15-11-18(26-12-15)20(24)21-16-6-2-13(3-7-16)10-19(22)23/h2-9,11-12H,10H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-[4-[[4-(4-methoxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetic acid?
2-[4-[[4-(4-methoxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetic acid has a molecular weight of 367.43 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(4-methoxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetic acid is sourced from PubChem (CID 10338959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).