ethyl 5-(4-methoxyphenyl)-3-[[(3S)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate

C19H21NO5S — CID 97029225

IUPACethyl 5-(4-methoxyphenyl)-3-[[(3S)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(OC)cc2)cc1NC(=O)[C@H]1CCOC1
InChIInChI=1S/C19H21NO5S/c1-3-25-19(22)17-15(20-18(21)13-8-9-24-11-13)10-16(26-17)12-4-6-14(23-2)7-5-12/h4-7,10,13H,3,8-9,11H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyNCJYLIWPDHMONX-ZDUSSCGKSA-N
MW375.45 g/mol
LogP3.58
Rot. Bonds6

About ethyl 5-(4-methoxyphenyl)-3-[[(3S)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate

ethyl 5-(4-methoxyphenyl)-3-[[(3S)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate (PubChem CID 97029225) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is ethyl 5-(4-methoxyphenyl)-3-[[(3S)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-methoxyphenyl)-3-[[(3S)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate
PubChem CID97029225
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Nameethyl 5-(4-methoxyphenyl)-3-[[(3S)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(OC)cc2)cc1NC(=O)[C@H]1CCOC1
InChIInChI=1S/C19H21NO5S/c1-3-25-19(22)17-15(20-18(21)13-8-9-24-11-13)10-16(26-17)12-4-6-14(23-2)7-5-12/h4-7,10,13H,3,8-9,11H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyNCJYLIWPDHMONX-ZDUSSCGKSA-N
XLogP3.58
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-(4-methoxyphenyl)-3-[[(3S)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate with MolForge

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Related Compounds

methyl 5-(2-chlorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate
CID 95275818
ethyl 3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-5-phenylthiophene-2-carboxylate
CID 41324904
(3R)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]oxolane-3-carboxamide
CID 95313237
ethyl 3-[(2-morpholin-4-ylacetyl)amino]-5-phenylthiophene-2-carboxylate
CID 2654063
ethyl 4-fluoro-2-methyl-5-[[(3S)-oxolane-3-carbonyl]amino]benzoate
CID 100643309
ethyl 3-methyl-5-(oxane-3-carbonylamino)thiophene-2-carboxylate
CID 62761043
ethyl 3-acetamido-5-(4-nitrophenyl)thiophene-2-carboxylate
CID 900070
ethyl 3-(cyclopropylcarbamothioylamino)-5-(4-fluorophenyl)thiophene-2-carboxylate
CID 8767583
ethyl 5-(4-methoxyphenyl)-3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]thiophene-2-carboxylate
CID 25491110
ethyl 5-(4-chlorophenyl)-3-[(2-nitrocyclopropanecarbonyl)amino]thiophene-2-carboxylate
CID 55773091
methyl 5-(4-methoxyphenyl)-3-(methylamino)thiophene-2-carboxylate
CID 142601231
methyl 5-methyl-2-(oxolane-3-carbonylamino)benzoate
CID 61278907

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-methoxyphenyl)-3-[[(3S)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate?
The IUPAC name of ethyl 5-(4-methoxyphenyl)-3-[[(3S)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate (CID 97029225) is ethyl 5-(4-methoxyphenyl)-3-[[(3S)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-(4-methoxyphenyl)-3-[[(3S)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 5-(4-methoxyphenyl)-3-[[(3S)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate is CCOC(=O)c1sc(-c2ccc(OC)cc2)cc1NC(=O)[C@H]1CCOC1.
What is the InChIKey of ethyl 5-(4-methoxyphenyl)-3-[[(3S)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate?
The InChIKey is NCJYLIWPDHMONX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-3-25-19(22)17-15(20-18(21)13-8-9-24-11-13)10-16(26-17)12-4-6-14(23-2)7-5-12/h4-7,10,13H,3,8-9,11H2,1-2H3,(H,20,21)/t13-/m0/s1.
What are the key properties of ethyl 5-(4-methoxyphenyl)-3-[[(3S)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate?
ethyl 5-(4-methoxyphenyl)-3-[[(3S)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate has a molecular weight of 375.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-methoxyphenyl)-3-[[(3S)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 97029225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).