N-[[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]methyl]-1-[(2R)-oxan-2-yl]methanesulfonamide

C19H29NO4S — CID 124731317

IUPACN-[[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]methyl]-1-[(2R)-oxan-2-yl]methanesulfonamide
SMILESCc1ccc([C@@H]2OCCC[C@H]2CNS(=O)(=O)C[C@H]2CCCCO2)cc1
InChIInChI=1S/C19H29NO4S/c1-15-7-9-16(10-8-15)19-17(5-4-12-24-19)13-20-25(21,22)14-18-6-2-3-11-23-18/h7-10,17-20H,2-6,11-14H2,1H3/t17-,18+,19-/m0/s1
InChIKeyITTXUFQABSPMCG-OTWHNJEPSA-N
MW367.51 g/mol
LogP2.95
Rot. Bonds6

About N-[[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]methyl]-1-[(2R)-oxan-2-yl]methanesulfonamide

N-[[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]methyl]-1-[(2R)-oxan-2-yl]methanesulfonamide (PubChem CID 124731317) has the molecular formula C19H29NO4S and a molecular weight of 367.51 g/mol. Its IUPAC name is N-[[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]methyl]-1-[(2R)-oxan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]methyl]-1-[(2R)-oxan-2-yl]methanesulfonamide
PubChem CID124731317
Molecular FormulaC19H29NO4S
Molecular Weight367.51 g/mol
Exact Mass367.18
IUPAC NameN-[[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]methyl]-1-[(2R)-oxan-2-yl]methanesulfonamide
SMILESCc1ccc([C@@H]2OCCC[C@H]2CNS(=O)(=O)C[C@H]2CCCCO2)cc1
InChIInChI=1S/C19H29NO4S/c1-15-7-9-16(10-8-15)19-17(5-4-12-24-19)13-20-25(21,22)14-18-6-2-3-11-23-18/h7-10,17-20H,2-6,11-14H2,1H3/t17-,18+,19-/m0/s1
InChIKeyITTXUFQABSPMCG-OTWHNJEPSA-N
XLogP2.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.51
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]methyl]-1-[(2R)-oxan-2-yl]methanesulfonamide with MolForge

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Related Compounds

3-[(dimethylsulfamoylamino)methyl]-2-(4-methylphenyl)oxane
CID 71992982
1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]methanesulfonamide
CID 30842118
2-methyl-1-[[2-(4-methylphenyl)oxan-3-yl]methyl]guanidine
CID 111478573
2-(difluoromethylsulfonyl)-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]aniline
CID 133332193
N-[[3-(bromomethyl)phenyl]methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 114298048
2-methyl-3-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-oxopropanoic acid
CID 122065691
N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119329797
1,2-dimethyl-3-[[2-(4-methylphenyl)oxan-3-yl]methyl]guanidine
CID 111478585
N-[[(2S,3S)-2-(4-methoxyphenyl)oxolan-3-yl]methyl]-4-methylbenzenesulfonamide
CID 122230316
(1S)-1-cyclopropyl-1-(4-methylphenyl)-N-[[(2R)-oxan-2-yl]methyl]methanamine
CID 94380091
(2S,3R)-2-(4-methylphenyl)oxan-3-amine
CID 95757199
1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride
CID 119974117

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]methyl]-1-[(2R)-oxan-2-yl]methanesulfonamide?
The IUPAC name of N-[[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]methyl]-1-[(2R)-oxan-2-yl]methanesulfonamide (CID 124731317) is N-[[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]methyl]-1-[(2R)-oxan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]methyl]-1-[(2R)-oxan-2-yl]methanesulfonamide?
The canonical SMILES for N-[[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]methyl]-1-[(2R)-oxan-2-yl]methanesulfonamide is Cc1ccc([C@@H]2OCCC[C@H]2CNS(=O)(=O)C[C@H]2CCCCO2)cc1.
What is the InChIKey of N-[[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]methyl]-1-[(2R)-oxan-2-yl]methanesulfonamide?
The InChIKey is ITTXUFQABSPMCG-OTWHNJEPSA-N. The full InChI is InChI=1S/C19H29NO4S/c1-15-7-9-16(10-8-15)19-17(5-4-12-24-19)13-20-25(21,22)14-18-6-2-3-11-23-18/h7-10,17-20H,2-6,11-14H2,1H3/t17-,18+,19-/m0/s1.
What are the key properties of N-[[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]methyl]-1-[(2R)-oxan-2-yl]methanesulfonamide?
N-[[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]methyl]-1-[(2R)-oxan-2-yl]methanesulfonamide has a molecular weight of 367.51 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]methyl]-1-[(2R)-oxan-2-yl]methanesulfonamide is sourced from PubChem (CID 124731317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).