2-(4-methylsulfonylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide

C19H22N2O4S — CID 134711883

IUPAC2-(4-methylsulfonylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cc1
InChIInChI=1S/C19H22N2O4S/c1-26(23,24)17-4-2-14(3-5-17)11-19(22)21-18-13-25-12-16(18)10-15-6-8-20-9-7-15/h2-9,16,18H,10-13H2,1H3,(H,21,22)/t16-,18-/m1/s1
InChIKeyCTKKVYPCEHPCRF-SJLPKXTDSA-N
MW374.46 g/mol
LogP1.40
Rot. Bonds6

About 2-(4-methylsulfonylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide

2-(4-methylsulfonylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide (PubChem CID 134711883) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
PubChem CID134711883
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-(4-methylsulfonylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cc1
InChIInChI=1S/C19H22N2O4S/c1-26(23,24)17-4-2-14(3-5-17)11-19(22)21-18-13-25-12-16(18)10-15-6-8-20-9-7-15/h2-9,16,18H,10-13H2,1H3,(H,21,22)/t16-,18-/m1/s1
InChIKeyCTKKVYPCEHPCRF-SJLPKXTDSA-N
XLogP1.40
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134697379
2-(4-propan-2-ylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134709594
3-methylsulfonyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135100569
3-methylsulfonyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134708693
4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide
CID 134697099
N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(2,4,6-trimethylphenyl)acetamide
CID 135103473
2-pyrazol-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134699637
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135105074
4-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride
CID 154918726
2-cyclopentyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135101855
3-ethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 134712034
2-(5-fluoro-2-methylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134707664

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
The IUPAC name of 2-(4-methylsulfonylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide (CID 134711883) is 2-(4-methylsulfonylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide is CS(=O)(=O)c1ccc(CC(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
The InChIKey is CTKKVYPCEHPCRF-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-26(23,24)17-4-2-14(3-5-17)11-19(22)21-18-13-25-12-16(18)10-15-6-8-20-9-7-15/h2-9,16,18H,10-13H2,1H3,(H,21,22)/t16-,18-/m1/s1.
What are the key properties of 2-(4-methylsulfonylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
2-(4-methylsulfonylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide has a molecular weight of 374.46 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide is sourced from PubChem (CID 134711883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).