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

C18H22N2O4S — CID 91767547

IUPAC5-(methoxymethyl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-2-carboxamide
SMILESCOCc1ccc(C(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)s1
InChIInChI=1S/C18H22N2O4S/c1-22-11-14-5-6-17(25-14)18(21)20-15-12-23-9-7-16(15)24-10-13-4-2-3-8-19-13/h2-6,8,15-16H,7,9-12H2,1H3,(H,20,21)/t15-,16-/m1/s1
InChIKeyHNRUKDUZJAEPOK-HZPDHXFCSA-N
MW362.45 g/mol
LogP2.39
Rot. Bonds7

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

5-(methoxymethyl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-2-carboxamide (PubChem CID 91767547) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-2-carboxamide
PubChem CID91767547
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name5-(methoxymethyl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-2-carboxamide
SMILESCOCc1ccc(C(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)s1
InChIInChI=1S/C18H22N2O4S/c1-22-11-14-5-6-17(25-14)18(21)20-15-12-23-9-7-16(15)24-10-13-4-2-3-8-19-13/h2-6,8,15-16H,7,9-12H2,1H3,(H,20,21)/t15-,16-/m1/s1
InChIKeyHNRUKDUZJAEPOK-HZPDHXFCSA-N
XLogP2.39
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(methoxymethyl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

5-(methoxymethyl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide
CID 91798306
5-(methoxymethyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]thiophene-2-carboxamide
CID 91785982
2-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]furan-3-carboxamide
CID 91771001
5-cyclopropyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,3-oxazole-4-carboxamide
CID 91784370
4-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,2,5-oxadiazole-3-carboxamide
CID 91763372
3-pyridin-2-yl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide
CID 91783906
2-(4-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide
CID 164634817
3-hydroxy-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyridine-4-carboxamide
CID 91767843
2,5-difluoro-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzamide
CID 91771107
N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]tetrazolo[1,5-a]pyridine-6-carboxamide
CID 91783413
1-phenyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]cyclopropane-1-carboxamide
CID 91768818
1-[(4-methylphenyl)methyl]-3-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]urea
CID 91786692

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-2-carboxamide (CID 91767547) is 5-(methoxymethyl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-2-carboxamide is COCc1ccc(C(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)s1.
What is the InChIKey of 5-(methoxymethyl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-2-carboxamide?
The InChIKey is HNRUKDUZJAEPOK-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-22-11-14-5-6-17(25-14)18(21)20-15-12-23-9-7-16(15)24-10-13-4-2-3-8-19-13/h2-6,8,15-16H,7,9-12H2,1H3,(H,20,21)/t15-,16-/m1/s1.
What are the key properties of 5-(methoxymethyl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-2-carboxamide?
5-(methoxymethyl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-2-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 2.39, 7 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-ylmethoxy)oxan-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 91767547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).