[(1S)-1-(2-methoxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate

C19H21NO5S — CID 1470171

IUPAC[(1S)-1-(2-methoxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate
SMILESCOc1ccccc1[C@H](OC(=O)c1cccs1)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C19H21NO5S/c1-23-15-8-3-2-7-14(15)17(25-19(22)16-9-5-11-26-16)18(21)20-12-13-6-4-10-24-13/h2-3,5,7-9,11,13,17H,4,6,10,12H2,1H3,(H,20,21)/t13-,17-/m0/s1
InChIKeyBXAYCYYHHNDRHL-GUYCJALGSA-N
MW375.45 g/mol
LogP2.95
Rot. Bonds7

About [(1S)-1-(2-methoxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate

[(1S)-1-(2-methoxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate (PubChem CID 1470171) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is [(1S)-1-(2-methoxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[(1S)-1-(2-methoxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate
PubChem CID1470171
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Name[(1S)-1-(2-methoxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate
SMILESCOc1ccccc1[C@H](OC(=O)c1cccs1)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C19H21NO5S/c1-23-15-8-3-2-7-14(15)17(25-19(22)16-9-5-11-26-16)18(21)20-12-13-6-4-10-24-13/h2-3,5,7-9,11,13,17H,4,6,10,12H2,1H3,(H,20,21)/t13-,17-/m0/s1
InChIKeyBXAYCYYHHNDRHL-GUYCJALGSA-N
XLogP2.95
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(1S)-1-(2-methoxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate with MolForge

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Related Compounds

[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl] thiophene-2-carboxylate
CID 1470109
[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate
CID 1470258
[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl] thiophene-2-carboxylate
CID 1470160
[(2S)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl] thiophene-2-carboxylate
CID 1470140
N-[2-(3,4-dimethoxy-N-[(1R)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
CID 92533770
N-[2-(N-[1-(3,4-dimethoxyphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3215747
N-(oxolan-2-ylmethyl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 6376286
(2S)-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 40937981
(2R)-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 40937982
N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943622
methyl 4-[[(1S)-1-(3,4-dimethoxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]benzoate
CID 98108720
N-[2-(3-chloro-4-methoxy-N-[(1S)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
CID 98108983

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2-methoxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate?
The IUPAC name of [(1S)-1-(2-methoxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate (CID 1470171) is [(1S)-1-(2-methoxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate.
What is the SMILES notation for [(1S)-1-(2-methoxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate?
The canonical SMILES for [(1S)-1-(2-methoxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate is COc1ccccc1[C@H](OC(=O)c1cccs1)C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of [(1S)-1-(2-methoxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate?
The InChIKey is BXAYCYYHHNDRHL-GUYCJALGSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-23-15-8-3-2-7-14(15)17(25-19(22)16-9-5-11-26-16)18(21)20-12-13-6-4-10-24-13/h2-3,5,7-9,11,13,17H,4,6,10,12H2,1H3,(H,20,21)/t13-,17-/m0/s1.
What are the key properties of [(1S)-1-(2-methoxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate?
[(1S)-1-(2-methoxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate has a molecular weight of 375.45 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2-methoxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate is sourced from PubChem (CID 1470171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).