2-[2-ethoxy-4-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]phenoxy]acetic acid

C19H23NO5S — CID 119180922

IUPAC2-[2-ethoxy-4-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N(Cc2cccs2)C(C)C)ccc1OCC(=O)O
InChIInChI=1S/C19H23NO5S/c1-4-24-17-10-14(7-8-16(17)25-12-18(21)22)19(23)20(13(2)3)11-15-6-5-9-26-15/h5-10,13H,4,11-12H2,1-3H3,(H,21,22)
InChIKeyQAIOZFNTROPMBO-UHFFFAOYSA-N
MW377.46 g/mol
LogP3.66
Rot. Bonds9

About 2-[2-ethoxy-4-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]phenoxy]acetic acid

2-[2-ethoxy-4-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]phenoxy]acetic acid (PubChem CID 119180922) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]phenoxy]acetic acid
PubChem CID119180922
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Name2-[2-ethoxy-4-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N(Cc2cccs2)C(C)C)ccc1OCC(=O)O
InChIInChI=1S/C19H23NO5S/c1-4-24-17-10-14(7-8-16(17)25-12-18(21)22)19(23)20(13(2)3)11-15-6-5-9-26-15/h5-10,13H,4,11-12H2,1-3H3,(H,21,22)
InChIKeyQAIOZFNTROPMBO-UHFFFAOYSA-N
XLogP3.66
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801031
3-bromo-4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 107999475
4-fluoro-N-propan-2-yl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
CID 107024895
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 60738646
1-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropan-1-one
CID 114973274
2-[2-ethoxy-4-[ethyl(phenyl)carbamoyl]phenoxy]acetic acid
CID 119179131
2-[2-ethoxy-4-(3-methylbutanoyl)phenoxy]acetic acid
CID 154190033
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
2-[2-ethoxy-4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 125152460
2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
CID 119179235
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid
CID 62965787

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]phenoxy]acetic acid (CID 119180922) is 2-[2-ethoxy-4-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]phenoxy]acetic acid is CCOc1cc(C(=O)N(Cc2cccs2)C(C)C)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]phenoxy]acetic acid?
The InChIKey is QAIOZFNTROPMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-4-24-17-10-14(7-8-16(17)25-12-18(21)22)19(23)20(13(2)3)11-15-6-5-9-26-15/h5-10,13H,4,11-12H2,1-3H3,(H,21,22).
What are the key properties of 2-[2-ethoxy-4-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]phenoxy]acetic acid?
2-[2-ethoxy-4-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]phenoxy]acetic acid has a molecular weight of 377.46 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119180922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).