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

C18H25NO4S — CID 23902905

IUPAC(2R,3S,4S)-N-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@@H]1OC(C(=O)NC2CC2)=C[C@H](c2ccsc2)[C@@H]1CCCO
InChIInChI=1S/C18H25NO4S/c1-2-22-18-14(4-3-8-20)15(12-7-9-24-11-12)10-16(23-18)17(21)19-13-5-6-13/h7,9-11,13-15,18,20H,2-6,8H2,1H3,(H,19,21)/t14-,15+,18+/m0/s1
InChIKeyFHZOBRKTTLEOEW-HDMKZQKVSA-N
MW351.47 g/mol
LogP2.78
Rot. Bonds8

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

(2R,3S,4S)-N-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23902905) has the molecular formula C18H25NO4S and a molecular weight of 351.47 g/mol. Its IUPAC name is (2R,3S,4S)-N-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S)-N-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID23902905
Molecular FormulaC18H25NO4S
Molecular Weight351.47 g/mol
Exact Mass351.15
IUPAC Name(2R,3S,4S)-N-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@@H]1OC(C(=O)NC2CC2)=C[C@H](c2ccsc2)[C@@H]1CCCO
InChIInChI=1S/C18H25NO4S/c1-2-22-18-14(4-3-8-20)15(12-7-9-24-11-12)10-16(23-18)17(21)19-13-5-6-13/h7,9-11,13-15,18,20H,2-6,8H2,1H3,(H,19,21)/t14-,15+,18+/m0/s1
InChIKeyFHZOBRKTTLEOEW-HDMKZQKVSA-N
XLogP2.78
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-N-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2R,3S,4S)-N-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide (CID 23902905) is (2R,3S,4S)-N-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2R,3S,4S)-N-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2R,3S,4S)-N-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide is CCO[C@@H]1OC(C(=O)NC2CC2)=C[C@H](c2ccsc2)[C@@H]1CCCO.
What is the InChIKey of (2R,3S,4S)-N-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is FHZOBRKTTLEOEW-HDMKZQKVSA-N. The full InChI is InChI=1S/C18H25NO4S/c1-2-22-18-14(4-3-8-20)15(12-7-9-24-11-12)10-16(23-18)17(21)19-13-5-6-13/h7,9-11,13-15,18,20H,2-6,8H2,1H3,(H,19,21)/t14-,15+,18+/m0/s1.
What are the key properties of (2R,3S,4S)-N-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide?
(2R,3S,4S)-N-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 351.47 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-N-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23902905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).