N-[2-(4-ethylphenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide

C16H22N2O3S — CID 71975844

IUPACN-[2-(4-ethylphenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCCc1ccc(C(C)(C)CNS(=O)(=O)Cc2ccon2)cc1
InChIInChI=1S/C16H22N2O3S/c1-4-13-5-7-14(8-6-13)16(2,3)12-17-22(19,20)11-15-9-10-21-18-15/h5-10,17H,4,11-12H2,1-3H3
InChIKeyXDOYJGBZRJPTBI-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.63
Rot. Bonds7

About N-[2-(4-ethylphenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide

N-[2-(4-ethylphenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 71975844) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
PubChem CID71975844
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-[2-(4-ethylphenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCCc1ccc(C(C)(C)CNS(=O)(=O)Cc2ccon2)cc1
InChIInChI=1S/C16H22N2O3S/c1-4-13-5-7-14(8-6-13)16(2,3)12-17-22(19,20)11-15-9-10-21-18-15/h5-10,17H,4,11-12H2,1-3H3
InChIKeyXDOYJGBZRJPTBI-UHFFFAOYSA-N
XLogP2.63
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide
CID 71982396
N-[4-(3,4-difluorophenyl)butan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 71997620
1-(3-fluorophenyl)-N-(2-(3-methylisoxazol-5-yl)ethyl)methanesulfonamide
CID 71789767
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide
CID 71914438
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide
CID 72120655
N-[(1S)-2,2-dimethyl-1-(2-methylphenyl)propyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 96563411
N-[(1S,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 126822335
1-(5-methyl-1,2-oxazol-3-yl)-N-(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide
CID 132355619
N-(4-tert-butylphenyl)-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 132360256
N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-sulfonamide
CID 138709920
N-(5-fluoro-2-methylphenyl)-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 56794485
N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 56795225

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-[2-(4-ethylphenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide (CID 71975844) is N-[2-(4-ethylphenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-[2-(4-ethylphenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-[2-(4-ethylphenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide is CCc1ccc(C(C)(C)CNS(=O)(=O)Cc2ccon2)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is XDOYJGBZRJPTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-4-13-5-7-14(8-6-13)16(2,3)12-17-22(19,20)11-15-9-10-21-18-15/h5-10,17H,4,11-12H2,1-3H3.
What are the key properties of N-[2-(4-ethylphenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
N-[2-(4-ethylphenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 322.43 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 71975844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).