(2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide

C18H27NO5S — CID 23818478

IUPAC(2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@@H]1OC(C(=O)NCCOC)=C[C@H](c2cccs2)[C@H]1CCCO
InChIInChI=1S/C18H27NO5S/c1-3-23-18-13(6-4-9-20)14(16-7-5-11-25-16)12-15(24-18)17(21)19-8-10-22-2/h5,7,11-14,18,20H,3-4,6,8-10H2,1-2H3,(H,19,21)/t13-,14+,18-/m1/s1
InChIKeyRQBOWWFSSBGRGT-QWQRMKEZSA-N
MW369.48 g/mol
LogP2.26
Rot. Bonds10

About (2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide

(2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23818478) has the molecular formula C18H27NO5S and a molecular weight of 369.48 g/mol. Its IUPAC name is (2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID23818478
Molecular FormulaC18H27NO5S
Molecular Weight369.48 g/mol
Exact Mass369.16
IUPAC Name(2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@@H]1OC(C(=O)NCCOC)=C[C@H](c2cccs2)[C@H]1CCCO
InChIInChI=1S/C18H27NO5S/c1-3-23-18-13(6-4-9-20)14(16-7-5-11-25-16)12-15(24-18)17(21)19-8-10-22-2/h5,7,11-14,18,20H,3-4,6,8-10H2,1-2H3,(H,19,21)/t13-,14+,18-/m1/s1
InChIKeyRQBOWWFSSBGRGT-QWQRMKEZSA-N
XLogP2.26
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (CID 23818478) is (2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is CCO[C@@H]1OC(C(=O)NCCOC)=C[C@H](c2cccs2)[C@H]1CCCO.
What is the InChIKey of (2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is RQBOWWFSSBGRGT-QWQRMKEZSA-N. The full InChI is InChI=1S/C18H27NO5S/c1-3-23-18-13(6-4-9-20)14(16-7-5-11-25-16)12-15(24-18)17(21)19-8-10-22-2/h5,7,11-14,18,20H,3-4,6,8-10H2,1-2H3,(H,19,21)/t13-,14+,18-/m1/s1.
What are the key properties of (2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
(2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 369.48 g/mol, XLogP of 2.26, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23818478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).