2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid

C18H19NO6S — CID 2814698

IUPAC2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid
SMILESCCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)COCC(=O)O)s1
InChIInChI=1S/C18H19NO6S/c1-3-13-8-14(17(23)11-4-6-12(24-2)7-5-11)18(26-13)19-15(20)9-25-10-16(21)22/h4-8H,3,9-10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyDODOZHLCUQDXIK-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.59
Rot. Bonds9

About 2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid

2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid (PubChem CID 2814698) has the molecular formula C18H19NO6S and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid
PubChem CID2814698
Molecular FormulaC18H19NO6S
Molecular Weight377.42 g/mol
Exact Mass377.09
IUPAC Name2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid
SMILESCCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)COCC(=O)O)s1
InChIInChI=1S/C18H19NO6S/c1-3-13-8-14(17(23)11-4-6-12(24-2)7-5-11)18(26-13)19-15(20)9-25-10-16(21)22/h4-8H,3,9-10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyDODOZHLCUQDXIK-UHFFFAOYSA-N
XLogP2.59
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid (CID 2814698) is 2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid is CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)COCC(=O)O)s1.
What is the InChIKey of 2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid?
The InChIKey is DODOZHLCUQDXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6S/c1-3-13-8-14(17(23)11-4-6-12(24-2)7-5-11)18(26-13)19-15(20)9-25-10-16(21)22/h4-8H,3,9-10H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid?
2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid has a molecular weight of 377.42 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 2814698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).