2-(4-methylpyrimidin-2-yl)sulfanyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide

C18H22N4O3S — CID 91782411

IUPAC2-(4-methylpyrimidin-2-yl)sulfanyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
SMILESCc1ccnc(SCC(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)n1
InChIInChI=1S/C18H22N4O3S/c1-13-5-8-20-18(21-13)26-12-17(23)22-15-6-9-24-11-16(15)25-10-14-4-2-3-7-19-14/h2-5,7-8,15-16H,6,9-12H2,1H3,(H,22,23)/t15-,16-/m1/s1
InChIKeyDWXRBJKVYMVZOF-HZPDHXFCSA-N
MW374.47 g/mol
LogP1.76
Rot. Bonds7

About 2-(4-methylpyrimidin-2-yl)sulfanyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide

2-(4-methylpyrimidin-2-yl)sulfanyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide (PubChem CID 91782411) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-(4-methylpyrimidin-2-yl)sulfanyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylpyrimidin-2-yl)sulfanyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
PubChem CID91782411
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name2-(4-methylpyrimidin-2-yl)sulfanyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
SMILESCc1ccnc(SCC(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)n1
InChIInChI=1S/C18H22N4O3S/c1-13-5-8-20-18(21-13)26-12-17(23)22-15-6-9-24-11-16(15)25-10-14-4-2-3-7-19-14/h2-5,7-8,15-16H,6,9-12H2,1H3,(H,22,23)/t15-,16-/m1/s1
InChIKeyDWXRBJKVYMVZOF-HZPDHXFCSA-N
XLogP1.76
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-methylpyrimidin-2-yl)sulfanyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide with MolForge

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Related Compounds

2-acetamido-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91767025
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide
CID 91759680
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91771200
3-(2-ethylimidazol-1-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]propanamide
CID 91766286
2-(1,3-benzodioxol-5-yl)-N-[3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 156609865
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91769435
3-ethyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1,2-oxazole-4-carboxamide
CID 91797644
3-(3-oxo-1H-isoindol-2-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]propanamide
CID 91764386
2-ethoxy-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyridine-3-carboxamide
CID 91764796
2-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]furan-3-carboxamide
CID 91771001
2-(4-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide
CID 164634817
3-pyridin-2-yl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide
CID 91783906

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrimidin-2-yl)sulfanyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide?
The IUPAC name of 2-(4-methylpyrimidin-2-yl)sulfanyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide (CID 91782411) is 2-(4-methylpyrimidin-2-yl)sulfanyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide.
What is the SMILES notation for 2-(4-methylpyrimidin-2-yl)sulfanyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide?
The canonical SMILES for 2-(4-methylpyrimidin-2-yl)sulfanyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide is Cc1ccnc(SCC(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)n1.
What is the InChIKey of 2-(4-methylpyrimidin-2-yl)sulfanyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide?
The InChIKey is DWXRBJKVYMVZOF-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-13-5-8-20-18(21-13)26-12-17(23)22-15-6-9-24-11-16(15)25-10-14-4-2-3-7-19-14/h2-5,7-8,15-16H,6,9-12H2,1H3,(H,22,23)/t15-,16-/m1/s1.
What are the key properties of 2-(4-methylpyrimidin-2-yl)sulfanyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide?
2-(4-methylpyrimidin-2-yl)sulfanyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide has a molecular weight of 374.47 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrimidin-2-yl)sulfanyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide is sourced from PubChem (CID 91782411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).