N-[(1S)-2,2-dimethyl-1-(2-methylphenyl)propyl]-1-(1,2-oxazol-3-yl)methanesulfonamide

C16H22N2O3S — CID 96563411

IUPACN-[(1S)-2,2-dimethyl-1-(2-methylphenyl)propyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1ccccc1[C@@H](NS(=O)(=O)Cc1ccon1)C(C)(C)C
InChIInChI=1S/C16H22N2O3S/c1-12-7-5-6-8-14(12)15(16(2,3)4)18-22(19,20)11-13-9-10-21-17-13/h5-10,15,18H,11H2,1-4H3/t15-/m1/s1
InChIKeyDXTWFAGYDBLSPD-OAHLLOKOSA-N
MW322.43 g/mol
LogP3.19
Rot. Bonds5

About N-[(1S)-2,2-dimethyl-1-(2-methylphenyl)propyl]-1-(1,2-oxazol-3-yl)methanesulfonamide

N-[(1S)-2,2-dimethyl-1-(2-methylphenyl)propyl]-1-(1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 96563411) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[(1S)-2,2-dimethyl-1-(2-methylphenyl)propyl]-1-(1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-2,2-dimethyl-1-(2-methylphenyl)propyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
PubChem CID96563411
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-[(1S)-2,2-dimethyl-1-(2-methylphenyl)propyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1ccccc1[C@@H](NS(=O)(=O)Cc1ccon1)C(C)(C)C
InChIInChI=1S/C16H22N2O3S/c1-12-7-5-6-8-14(12)15(16(2,3)4)18-22(19,20)11-13-9-10-21-17-13/h5-10,15,18H,11H2,1-4H3/t15-/m1/s1
InChIKeyDXTWFAGYDBLSPD-OAHLLOKOSA-N
XLogP3.19
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,2-dimethyl-1-(2-methylphenyl)propyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-[(1S)-2,2-dimethyl-1-(2-methylphenyl)propyl]-1-(1,2-oxazol-3-yl)methanesulfonamide (CID 96563411) is N-[(1S)-2,2-dimethyl-1-(2-methylphenyl)propyl]-1-(1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-[(1S)-2,2-dimethyl-1-(2-methylphenyl)propyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-[(1S)-2,2-dimethyl-1-(2-methylphenyl)propyl]-1-(1,2-oxazol-3-yl)methanesulfonamide is Cc1ccccc1[C@@H](NS(=O)(=O)Cc1ccon1)C(C)(C)C.
What is the InChIKey of N-[(1S)-2,2-dimethyl-1-(2-methylphenyl)propyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is DXTWFAGYDBLSPD-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-12-7-5-6-8-14(12)15(16(2,3)4)18-22(19,20)11-13-9-10-21-17-13/h5-10,15,18H,11H2,1-4H3/t15-/m1/s1.
What are the key properties of N-[(1S)-2,2-dimethyl-1-(2-methylphenyl)propyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
N-[(1S)-2,2-dimethyl-1-(2-methylphenyl)propyl]-1-(1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 322.43 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,2-dimethyl-1-(2-methylphenyl)propyl]-1-(1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 96563411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).