5-(methoxymethyl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide

C17H20N2O4S — CID 91798306

IUPAC5-(methoxymethyl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide
SMILESCOCc1ccc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)s1
InChIInChI=1S/C17H20N2O4S/c1-21-10-12-5-6-15(24-12)17(20)19-13-11-22-9-7-14(13)23-16-4-2-3-8-18-16/h2-6,8,13-14H,7,9-11H2,1H3,(H,19,20)/t13-,14-/m1/s1
InChIKeyRNBPNNKGROZTEP-ZIAGYGMSSA-N
MW348.42 g/mol
LogP2.26
Rot. Bonds6

About 5-(methoxymethyl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide

5-(methoxymethyl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide (PubChem CID 91798306) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide
PubChem CID91798306
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name5-(methoxymethyl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide
SMILESCOCc1ccc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)s1
InChIInChI=1S/C17H20N2O4S/c1-21-10-12-5-6-15(24-12)17(20)19-13-11-22-9-7-14(13)23-16-4-2-3-8-18-16/h2-6,8,13-14H,7,9-11H2,1H3,(H,19,20)/t13-,14-/m1/s1
InChIKeyRNBPNNKGROZTEP-ZIAGYGMSSA-N
XLogP2.26
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide (CID 91798306) is 5-(methoxymethyl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide is COCc1ccc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)s1.
What is the InChIKey of 5-(methoxymethyl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide?
The InChIKey is RNBPNNKGROZTEP-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-21-10-12-5-6-15(24-12)17(20)19-13-11-22-9-7-14(13)23-16-4-2-3-8-18-16/h2-6,8,13-14H,7,9-11H2,1H3,(H,19,20)/t13-,14-/m1/s1.
What are the key properties of 5-(methoxymethyl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide?
5-(methoxymethyl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 91798306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).