5-[[2-(cyclopropylmethoxymethylsulfonyl)phenyl]methyl]-1H-pyridin-2-one

C17H19NO4S — CID 172693883

IUPAC5-[[2-(cyclopropylmethoxymethylsulfonyl)phenyl]methyl]-1H-pyridin-2-one
SMILESO=c1ccc(Cc2ccccc2S(=O)(=O)COCC2CC2)c[nH]1
InChIInChI=1S/C17H19NO4S/c19-17-8-7-14(10-18-17)9-15-3-1-2-4-16(15)23(20,21)12-22-11-13-5-6-13/h1-4,7-8,10,13H,5-6,9,11-12H2,(H,18,19)
InChIKeyCBBRCHPSMIZKDX-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.12
Rot. Bonds7

About 5-[[2-(cyclopropylmethoxymethylsulfonyl)phenyl]methyl]-1H-pyridin-2-one

5-[[2-(cyclopropylmethoxymethylsulfonyl)phenyl]methyl]-1H-pyridin-2-one (PubChem CID 172693883) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 5-[[2-(cyclopropylmethoxymethylsulfonyl)phenyl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[2-(cyclopropylmethoxymethylsulfonyl)phenyl]methyl]-1H-pyridin-2-one
PubChem CID172693883
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name5-[[2-(cyclopropylmethoxymethylsulfonyl)phenyl]methyl]-1H-pyridin-2-one
SMILESO=c1ccc(Cc2ccccc2S(=O)(=O)COCC2CC2)c[nH]1
InChIInChI=1S/C17H19NO4S/c19-17-8-7-14(10-18-17)9-15-3-1-2-4-16(15)23(20,21)12-22-11-13-5-6-13/h1-4,7-8,10,13H,5-6,9,11-12H2,(H,18,19)
InChIKeyCBBRCHPSMIZKDX-UHFFFAOYSA-N
XLogP2.12
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(cyclopropylmethoxymethylsulfonyl)phenyl]-1,4-dimethylpyridin-2-one
CID 172821205
3-(cyclopropylmethoxymethylsulfonyl)-4-methylaniline
CID 106931523
N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 60972507
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
1-[2-(cyclopropylmethylsulfonyl)phenyl]-3-methylurea
CID 117063350
5-(iodomethyl)-1H-pyridin-2-one
CID 126675889
4-[(2-fluorophenyl)methoxymethyl]cyclohexan-1-one
CID 58923599
2-(6-oxo-1H-pyridin-3-yl)ethanesulfonic acid
CID 19377950
1-(cyclopropylmethoxymethyl)-4-phenylbenzene
CID 59259711
5-(aminomethyl)-1H-pyridin-2-one;dihydrobromide
CID 54594095
3-[2-(cyclopropylmethoxy)ethoxy]propylbenzene
CID 54112131
2-[2-[[2-(cyclopropylmethoxy)acetyl]amino]phenyl]acetic acid
CID 119218359

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(cyclopropylmethoxymethylsulfonyl)phenyl]methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[[2-(cyclopropylmethoxymethylsulfonyl)phenyl]methyl]-1H-pyridin-2-one (CID 172693883) is 5-[[2-(cyclopropylmethoxymethylsulfonyl)phenyl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[2-(cyclopropylmethoxymethylsulfonyl)phenyl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[[2-(cyclopropylmethoxymethylsulfonyl)phenyl]methyl]-1H-pyridin-2-one is O=c1ccc(Cc2ccccc2S(=O)(=O)COCC2CC2)c[nH]1.
What is the InChIKey of 5-[[2-(cyclopropylmethoxymethylsulfonyl)phenyl]methyl]-1H-pyridin-2-one?
The InChIKey is CBBRCHPSMIZKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c19-17-8-7-14(10-18-17)9-15-3-1-2-4-16(15)23(20,21)12-22-11-13-5-6-13/h1-4,7-8,10,13H,5-6,9,11-12H2,(H,18,19).
What are the key properties of 5-[[2-(cyclopropylmethoxymethylsulfonyl)phenyl]methyl]-1H-pyridin-2-one?
5-[[2-(cyclopropylmethoxymethylsulfonyl)phenyl]methyl]-1H-pyridin-2-one has a molecular weight of 333.41 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(cyclopropylmethoxymethylsulfonyl)phenyl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 172693883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).