2-[4-[(2,5-dimethylthiophene-3-carbonyl)amino]phenoxy]acetic acid

C15H15NO4S — CID 62034278

IUPAC2-[4-[(2,5-dimethylthiophene-3-carbonyl)amino]phenoxy]acetic acid
SMILESCc1cc(C(=O)Nc2ccc(OCC(=O)O)cc2)c(C)s1
InChIInChI=1S/C15H15NO4S/c1-9-7-13(10(2)21-9)15(19)16-11-3-5-12(6-4-11)20-8-14(17)18/h3-7H,8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyOCWZLAHNVHHFGR-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.08
Rot. Bonds5

About 2-[4-[(2,5-dimethylthiophene-3-carbonyl)amino]phenoxy]acetic acid

2-[4-[(2,5-dimethylthiophene-3-carbonyl)amino]phenoxy]acetic acid (PubChem CID 62034278) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[4-[(2,5-dimethylthiophene-3-carbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,5-dimethylthiophene-3-carbonyl)amino]phenoxy]acetic acid
PubChem CID62034278
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name2-[4-[(2,5-dimethylthiophene-3-carbonyl)amino]phenoxy]acetic acid
SMILESCc1cc(C(=O)Nc2ccc(OCC(=O)O)cc2)c(C)s1
InChIInChI=1S/C15H15NO4S/c1-9-7-13(10(2)21-9)15(19)16-11-3-5-12(6-4-11)20-8-14(17)18/h3-7H,8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyOCWZLAHNVHHFGR-UHFFFAOYSA-N
XLogP3.08
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylsulfonylphenyl)-2,5-dimethylthiophene-3-carboxamide
CID 39862739
2-(4-benzamidophenoxy)acetic acid
CID 3830392
2-[4-[(4-methyl-3-nitrobenzoyl)amino]phenoxy]acetic acid
CID 17172350
2-[4-[[2-(ethylamino)acetyl]amino]phenoxy]acetic acid
CID 63745882
2-[4-(propan-2-yloxycarbonylamino)phenoxy]acetic acid
CID 63772697
2-[4-[(3,5-dibenzamidobenzoyl)amino]phenoxy]acetic acid
CID 17172409
2-[4-(phenylcarbamoyl)phenoxy]acetic acid
CID 28762607
2-[4-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid
CID 1336713
N-(4-methoxyphenyl)-5-methyl-2-propylthiophene-3-carboxamide
CID 11500235
N-(2,5-diethoxyphenyl)-2,5-dimethylthiophene-3-carboxamide
CID 36665080
2-[4-(1,3-thiazole-5-carbonylamino)phenoxy]acetic acid
CID 114030968
N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methylthiophene-3-carboxamide
CID 79802455

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dimethylthiophene-3-carbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(2,5-dimethylthiophene-3-carbonyl)amino]phenoxy]acetic acid (CID 62034278) is 2-[4-[(2,5-dimethylthiophene-3-carbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(2,5-dimethylthiophene-3-carbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(2,5-dimethylthiophene-3-carbonyl)amino]phenoxy]acetic acid is Cc1cc(C(=O)Nc2ccc(OCC(=O)O)cc2)c(C)s1.
What is the InChIKey of 2-[4-[(2,5-dimethylthiophene-3-carbonyl)amino]phenoxy]acetic acid?
The InChIKey is OCWZLAHNVHHFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-9-7-13(10(2)21-9)15(19)16-11-3-5-12(6-4-11)20-8-14(17)18/h3-7H,8H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[4-[(2,5-dimethylthiophene-3-carbonyl)amino]phenoxy]acetic acid?
2-[4-[(2,5-dimethylthiophene-3-carbonyl)amino]phenoxy]acetic acid has a molecular weight of 305.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dimethylthiophene-3-carbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 62034278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).