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

C21H25NO4S — CID 23847154

IUPAC(2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-phenyl-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@H]1OC(C(=O)Nc2ccccc2)=C[C@@H](c2cccs2)[C@H]1CCCO
InChIInChI=1S/C21H25NO4S/c1-2-25-21-16(10-6-12-23)17(19-11-7-13-27-19)14-18(26-21)20(24)22-15-8-4-3-5-9-15/h3-5,7-9,11,13-14,16-17,21,23H,2,6,10,12H2,1H3,(H,22,24)/t16-,17-,21+/m1/s1
InChIKeyKUISQITWARXXEF-LZJOCLMNSA-N
MW387.50 g/mol
LogP4.14
Rot. Bonds8

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

(2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-phenyl-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23847154) has the molecular formula C21H25NO4S and a molecular weight of 387.50 g/mol. Its IUPAC name is (2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-phenyl-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-phenyl-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID23847154
Molecular FormulaC21H25NO4S
Molecular Weight387.50 g/mol
Exact Mass387.15
IUPAC Name(2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-phenyl-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@H]1OC(C(=O)Nc2ccccc2)=C[C@@H](c2cccs2)[C@H]1CCCO
InChIInChI=1S/C21H25NO4S/c1-2-25-21-16(10-6-12-23)17(19-11-7-13-27-19)14-18(26-21)20(24)22-15-8-4-3-5-9-15/h3-5,7-9,11,13-14,16-17,21,23H,2,6,10,12H2,1H3,(H,22,24)/t16-,17-,21+/m1/s1
InChIKeyKUISQITWARXXEF-LZJOCLMNSA-N
XLogP4.14
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-phenyl-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-phenyl-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (CID 23847154) is (2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-phenyl-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-phenyl-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-phenyl-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is CCO[C@H]1OC(C(=O)Nc2ccccc2)=C[C@@H](c2cccs2)[C@H]1CCCO.
What is the InChIKey of (2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-phenyl-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is KUISQITWARXXEF-LZJOCLMNSA-N. The full InChI is InChI=1S/C21H25NO4S/c1-2-25-21-16(10-6-12-23)17(19-11-7-13-27-19)14-18(26-21)20(24)22-15-8-4-3-5-9-15/h3-5,7-9,11,13-14,16-17,21,23H,2,6,10,12H2,1H3,(H,22,24)/t16-,17-,21+/m1/s1.
What are the key properties of (2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-phenyl-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
(2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-phenyl-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 387.50 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-phenyl-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23847154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).