(2R,4R)-N-(4-hydroxyphenyl)-2-(3-hydroxypropoxy)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide

C19H21NO5S — CID 6672185

IUPAC(2R,4R)-N-(4-hydroxyphenyl)-2-(3-hydroxypropoxy)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(Nc1ccc(O)cc1)C1=C[C@H](c2cccs2)C[C@H](OCCCO)O1
InChIInChI=1S/C19H21NO5S/c21-8-2-9-24-18-12-13(17-3-1-10-26-17)11-16(25-18)19(23)20-14-4-6-15(22)7-5-14/h1,3-7,10-11,13,18,21-22H,2,8-9,12H2,(H,20,23)/t13-,18+/m0/s1
InChIKeyKOWBZKVJTKIPPK-SCLBCKFNSA-N
MW375.45 g/mol
LogP3.21
Rot. Bonds7

About (2R,4R)-N-(4-hydroxyphenyl)-2-(3-hydroxypropoxy)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide

(2R,4R)-N-(4-hydroxyphenyl)-2-(3-hydroxypropoxy)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 6672185) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is (2R,4R)-N-(4-hydroxyphenyl)-2-(3-hydroxypropoxy)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-(4-hydroxyphenyl)-2-(3-hydroxypropoxy)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID6672185
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Name(2R,4R)-N-(4-hydroxyphenyl)-2-(3-hydroxypropoxy)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(Nc1ccc(O)cc1)C1=C[C@H](c2cccs2)C[C@H](OCCCO)O1
InChIInChI=1S/C19H21NO5S/c21-8-2-9-24-18-12-13(17-3-1-10-26-17)11-16(25-18)19(23)20-14-4-6-15(22)7-5-14/h1,3-7,10-11,13,18,21-22H,2,8-9,12H2,(H,20,23)/t13-,18+/m0/s1
InChIKeyKOWBZKVJTKIPPK-SCLBCKFNSA-N
XLogP3.21
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-(4-hydroxyphenyl)-2-(3-hydroxypropoxy)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2R,4R)-N-(4-hydroxyphenyl)-2-(3-hydroxypropoxy)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (CID 6672185) is (2R,4R)-N-(4-hydroxyphenyl)-2-(3-hydroxypropoxy)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2R,4R)-N-(4-hydroxyphenyl)-2-(3-hydroxypropoxy)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2R,4R)-N-(4-hydroxyphenyl)-2-(3-hydroxypropoxy)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is O=C(Nc1ccc(O)cc1)C1=C[C@H](c2cccs2)C[C@H](OCCCO)O1.
What is the InChIKey of (2R,4R)-N-(4-hydroxyphenyl)-2-(3-hydroxypropoxy)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is KOWBZKVJTKIPPK-SCLBCKFNSA-N. The full InChI is InChI=1S/C19H21NO5S/c21-8-2-9-24-18-12-13(17-3-1-10-26-17)11-16(25-18)19(23)20-14-4-6-15(22)7-5-14/h1,3-7,10-11,13,18,21-22H,2,8-9,12H2,(H,20,23)/t13-,18+/m0/s1.
What are the key properties of (2R,4R)-N-(4-hydroxyphenyl)-2-(3-hydroxypropoxy)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
(2R,4R)-N-(4-hydroxyphenyl)-2-(3-hydroxypropoxy)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-(4-hydroxyphenyl)-2-(3-hydroxypropoxy)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 6672185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).