2-[4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-methylphenoxy]acetic acid

C17H19NO4S — CID 119231593

IUPAC2-[4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-methylphenoxy]acetic acid
SMILESCCc1sc(C(=O)Nc2ccc(OCC(=O)O)cc2C)cc1C
InChIInChI=1S/C17H19NO4S/c1-4-14-11(3)8-15(23-14)17(21)18-13-6-5-12(7-10(13)2)22-9-16(19)20/h5-8H,4,9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyCXNWBPFBRZKQPB-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.64
Rot. Bonds6

About 2-[4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-methylphenoxy]acetic acid

2-[4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-methylphenoxy]acetic acid (PubChem CID 119231593) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-methylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-methylphenoxy]acetic acid
PubChem CID119231593
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name2-[4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-methylphenoxy]acetic acid
SMILESCCc1sc(C(=O)Nc2ccc(OCC(=O)O)cc2C)cc1C
InChIInChI=1S/C17H19NO4S/c1-4-14-11(3)8-15(23-14)17(21)18-13-6-5-12(7-10(13)2)22-9-16(19)20/h5-8H,4,9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyCXNWBPFBRZKQPB-UHFFFAOYSA-N
XLogP3.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)-3-methylphenoxy]acetic acid
CID 119231370
2-[4-(butanoylamino)-3-methylphenoxy]acetic acid
CID 119231512
5-ethyl-4-methyl-N-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 7914877
N-(2-ethoxyphenyl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 4820666
3-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-4-hydroxybenzoic acid
CID 107264822
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 87005827
2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 17342102
4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid
CID 63190005
2-[4-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-3-methylphenoxy]acetic acid
CID 119231781
2-[3-methyl-4-(3-methylbutanoylamino)phenoxy]acetic acid
CID 119231825
methyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]benzoate
CID 43403969
2-[4-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231680

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-methylphenoxy]acetic acid?
The IUPAC name of 2-[4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-methylphenoxy]acetic acid (CID 119231593) is 2-[4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-methylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-methylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-methylphenoxy]acetic acid is CCc1sc(C(=O)Nc2ccc(OCC(=O)O)cc2C)cc1C.
What is the InChIKey of 2-[4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-methylphenoxy]acetic acid?
The InChIKey is CXNWBPFBRZKQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-4-14-11(3)8-15(23-14)17(21)18-13-6-5-12(7-10(13)2)22-9-16(19)20/h5-8H,4,9H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 2-[4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-methylphenoxy]acetic acid?
2-[4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-methylphenoxy]acetic acid has a molecular weight of 333.41 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-methylphenoxy]acetic acid is sourced from PubChem (CID 119231593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).