3-methylsulfonyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide

C18H20N2O4S — CID 134708693

IUPAC3-methylsulfonyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
SMILESCS(=O)(=O)c1cccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c1
InChIInChI=1S/C18H20N2O4S/c1-25(22,23)16-4-2-3-14(10-16)18(21)20-17-12-24-11-15(17)9-13-5-7-19-8-6-13/h2-8,10,15,17H,9,11-12H2,1H3,(H,20,21)/t15-,17-/m1/s1
InChIKeyGBWYQJKNBTYDJW-NVXWUHKLSA-N
MW360.44 g/mol
LogP1.47
Rot. Bonds5

About 3-methylsulfonyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide

3-methylsulfonyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide (PubChem CID 134708693) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-methylsulfonyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
PubChem CID134708693
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name3-methylsulfonyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
SMILESCS(=O)(=O)c1cccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c1
InChIInChI=1S/C18H20N2O4S/c1-25(22,23)16-4-2-3-14(10-16)18(21)20-17-12-24-11-15(17)9-13-5-7-19-8-6-13/h2-8,10,15,17H,9,11-12H2,1H3,(H,20,21)/t15-,17-/m1/s1
InChIKeyGBWYQJKNBTYDJW-NVXWUHKLSA-N
XLogP1.47
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylsulfonylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134711883
4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135106892
3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134695838
3,4-diethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134705516
3-methylsulfonyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135100569
3-methoxy-2-methyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134696817
1,3,7-trimethyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]indole-2-carboxamide
CID 135098674
6-(dimethylamino)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridine-3-carboxamide
CID 134695947
2-pyridin-3-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide
CID 135116799
3-chloro-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-4-pyrrolidin-1-ylbenzamide
CID 135114938
4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135096933
2-anilino-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide
CID 162626374

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
The IUPAC name of 3-methylsulfonyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide (CID 134708693) is 3-methylsulfonyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide.
What is the SMILES notation for 3-methylsulfonyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
The canonical SMILES for 3-methylsulfonyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide is CS(=O)(=O)c1cccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c1.
What is the InChIKey of 3-methylsulfonyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
The InChIKey is GBWYQJKNBTYDJW-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-25(22,23)16-4-2-3-14(10-16)18(21)20-17-12-24-11-15(17)9-13-5-7-19-8-6-13/h2-8,10,15,17H,9,11-12H2,1H3,(H,20,21)/t15-,17-/m1/s1.
What are the key properties of 3-methylsulfonyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
3-methylsulfonyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide has a molecular weight of 360.44 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide is sourced from PubChem (CID 134708693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).