2-[2-ethoxy-4-[(4-methylsulfanylphenyl)methylcarbamoyl]phenoxy]acetic acid

C19H21NO5S — CID 119182333

IUPAC2-[2-ethoxy-4-[(4-methylsulfanylphenyl)methylcarbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)NCc2ccc(SC)cc2)ccc1OCC(=O)O
InChIInChI=1S/C19H21NO5S/c1-3-24-17-10-14(6-9-16(17)25-12-18(21)22)19(23)20-11-13-4-7-15(26-2)8-5-13/h4-10H,3,11-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyYUIYKZWWBSTESR-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.20
Rot. Bonds9

About 2-[2-ethoxy-4-[(4-methylsulfanylphenyl)methylcarbamoyl]phenoxy]acetic acid

2-[2-ethoxy-4-[(4-methylsulfanylphenyl)methylcarbamoyl]phenoxy]acetic acid (PubChem CID 119182333) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[(4-methylsulfanylphenyl)methylcarbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-[(4-methylsulfanylphenyl)methylcarbamoyl]phenoxy]acetic acid
PubChem CID119182333
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Name2-[2-ethoxy-4-[(4-methylsulfanylphenyl)methylcarbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)NCc2ccc(SC)cc2)ccc1OCC(=O)O
InChIInChI=1S/C19H21NO5S/c1-3-24-17-10-14(6-9-16(17)25-12-18(21)22)19(23)20-11-13-4-7-15(26-2)8-5-13/h4-10H,3,11-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyYUIYKZWWBSTESR-UHFFFAOYSA-N
XLogP3.20
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-ethoxy-4-phenylmethoxybenzamide
CID 2192321
2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
CID 119179235
N-benzyl-3-ethoxy-4-propoxybenzamide
CID 4264811
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
2-[2-ethoxy-4-[(2-methylpyrimidin-4-yl)methylcarbamoyl]phenoxy]acetic acid
CID 119182002
2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119181430
2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid
CID 119179211
2-[2-ethoxy-4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenoxy]acetic acid
CID 119184092
3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261631
4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
CID 110762214
2-[2-ethoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetic acid
CID 119179703
3-ethoxy-4-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]benzamide
CID 39508576

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[(4-methylsulfanylphenyl)methylcarbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-[(4-methylsulfanylphenyl)methylcarbamoyl]phenoxy]acetic acid (CID 119182333) is 2-[2-ethoxy-4-[(4-methylsulfanylphenyl)methylcarbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-[(4-methylsulfanylphenyl)methylcarbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-[(4-methylsulfanylphenyl)methylcarbamoyl]phenoxy]acetic acid is CCOc1cc(C(=O)NCc2ccc(SC)cc2)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-[(4-methylsulfanylphenyl)methylcarbamoyl]phenoxy]acetic acid?
The InChIKey is YUIYKZWWBSTESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-3-24-17-10-14(6-9-16(17)25-12-18(21)22)19(23)20-11-13-4-7-15(26-2)8-5-13/h4-10H,3,11-12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-[2-ethoxy-4-[(4-methylsulfanylphenyl)methylcarbamoyl]phenoxy]acetic acid?
2-[2-ethoxy-4-[(4-methylsulfanylphenyl)methylcarbamoyl]phenoxy]acetic acid has a molecular weight of 375.45 g/mol, XLogP of 3.20, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[(4-methylsulfanylphenyl)methylcarbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119182333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).