2-[2-[4-(2,5-dimethylphenyl)-2-(thiophene-2-carbonyl)phenoxy]ethyl-methylamino]acetic acid

C24H25NO4S — CID 154457318

IUPAC2-[2-[4-(2,5-dimethylphenyl)-2-(thiophene-2-carbonyl)phenoxy]ethyl-methylamino]acetic acid
SMILESCc1ccc(C)c(-c2ccc(OCCN(C)CC(=O)O)c(C(=O)c3cccs3)c2)c1
InChIInChI=1S/C24H25NO4S/c1-16-6-7-17(2)19(13-16)18-8-9-21(29-11-10-25(3)15-23(26)27)20(14-18)24(28)22-5-4-12-30-22/h4-9,12-14H,10-11,15H2,1-3H3,(H,26,27)
InChIKeyCSBBBRQAQJPTSX-UHFFFAOYSA-N
MW423.53 g/mol
LogP4.66
Rot. Bonds9

About 2-[2-[4-(2,5-dimethylphenyl)-2-(thiophene-2-carbonyl)phenoxy]ethyl-methylamino]acetic acid

2-[2-[4-(2,5-dimethylphenyl)-2-(thiophene-2-carbonyl)phenoxy]ethyl-methylamino]acetic acid (PubChem CID 154457318) has the molecular formula C24H25NO4S and a molecular weight of 423.53 g/mol. Its IUPAC name is 2-[2-[4-(2,5-dimethylphenyl)-2-(thiophene-2-carbonyl)phenoxy]ethyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(2,5-dimethylphenyl)-2-(thiophene-2-carbonyl)phenoxy]ethyl-methylamino]acetic acid
PubChem CID154457318
Molecular FormulaC24H25NO4S
Molecular Weight423.53 g/mol
Exact Mass423.15
IUPAC Name2-[2-[4-(2,5-dimethylphenyl)-2-(thiophene-2-carbonyl)phenoxy]ethyl-methylamino]acetic acid
SMILESCc1ccc(C)c(-c2ccc(OCCN(C)CC(=O)O)c(C(=O)c3cccs3)c2)c1
InChIInChI=1S/C24H25NO4S/c1-16-6-7-17(2)19(13-16)18-8-9-21(29-11-10-25(3)15-23(26)27)20(14-18)24(28)22-5-4-12-30-22/h4-9,12-14H,10-11,15H2,1-3H3,(H,26,27)
InChIKeyCSBBBRQAQJPTSX-UHFFFAOYSA-N
XLogP4.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[4-(2,5-dimethylphenyl)-2-(thiophene-2-carbonyl)phenoxy]ethyl-methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;propan-2-yl 2-[methyl-[2-[4-phenyl-2-(thiophene-2-carbonyl)phenoxy]ethyl]amino]acetate
CID 143123954
(5-methyl-2-propoxyphenyl)-thiophen-2-ylmethanone
CID 82051969
2-[2-(2-benzoyl-4-bromophenoxy)ethyl-methylamino]acetic acid
CID 86079237
2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetic acid
CID 43386105
[5-(2,4-dichlorophenyl)-2-ethoxyphenyl]-thiophen-2-ylmethanone
CID 90733017
4-(2,4-dimethylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793557
5-methyl-2-(2-thiophen-2-ylethoxy)benzoic acid
CID 55220019
3-[3-(2,5-dimethylphenyl)phenoxy]propanoic acid
CID 39369428
2-[[2-(2,5-dimethylphenyl)-2-oxoethyl]-methylamino]acetic acid
CID 82476152
(5-ethyl-2-methoxyphenyl)-thiophen-2-ylmethanone
CID 58753986
(5-chloro-2-ethoxy-4-methylphenyl)-thiophen-2-ylmethanone
CID 82053103
(2-ethoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethanone
CID 82054009

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2,5-dimethylphenyl)-2-(thiophene-2-carbonyl)phenoxy]ethyl-methylamino]acetic acid?
The IUPAC name of 2-[2-[4-(2,5-dimethylphenyl)-2-(thiophene-2-carbonyl)phenoxy]ethyl-methylamino]acetic acid (CID 154457318) is 2-[2-[4-(2,5-dimethylphenyl)-2-(thiophene-2-carbonyl)phenoxy]ethyl-methylamino]acetic acid.
What is the SMILES notation for 2-[2-[4-(2,5-dimethylphenyl)-2-(thiophene-2-carbonyl)phenoxy]ethyl-methylamino]acetic acid?
The canonical SMILES for 2-[2-[4-(2,5-dimethylphenyl)-2-(thiophene-2-carbonyl)phenoxy]ethyl-methylamino]acetic acid is Cc1ccc(C)c(-c2ccc(OCCN(C)CC(=O)O)c(C(=O)c3cccs3)c2)c1.
What is the InChIKey of 2-[2-[4-(2,5-dimethylphenyl)-2-(thiophene-2-carbonyl)phenoxy]ethyl-methylamino]acetic acid?
The InChIKey is CSBBBRQAQJPTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4S/c1-16-6-7-17(2)19(13-16)18-8-9-21(29-11-10-25(3)15-23(26)27)20(14-18)24(28)22-5-4-12-30-22/h4-9,12-14H,10-11,15H2,1-3H3,(H,26,27).
What are the key properties of 2-[2-[4-(2,5-dimethylphenyl)-2-(thiophene-2-carbonyl)phenoxy]ethyl-methylamino]acetic acid?
2-[2-[4-(2,5-dimethylphenyl)-2-(thiophene-2-carbonyl)phenoxy]ethyl-methylamino]acetic acid has a molecular weight of 423.53 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2,5-dimethylphenyl)-2-(thiophene-2-carbonyl)phenoxy]ethyl-methylamino]acetic acid is sourced from PubChem (CID 154457318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).