N-[2-(4-ethylphenyl)-2-methylpropyl]-1-[(3R)-oxolan-3-yl]methanesulfonamide

C17H27NO3S — CID 96563422

IUPACN-[2-(4-ethylphenyl)-2-methylpropyl]-1-[(3R)-oxolan-3-yl]methanesulfonamide
SMILESCCc1ccc(C(C)(C)CNS(=O)(=O)C[C@@H]2CCOC2)cc1
InChIInChI=1S/C17H27NO3S/c1-4-14-5-7-16(8-6-14)17(2,3)13-18-22(19,20)12-15-9-10-21-11-15/h5-8,15,18H,4,9-13H2,1-3H3/t15-/m1/s1
InChIKeyLAQXHXHCGZFOIO-OAHLLOKOSA-N
MW325.47 g/mol
LogP2.48
Rot. Bonds7

About N-[2-(4-ethylphenyl)-2-methylpropyl]-1-[(3R)-oxolan-3-yl]methanesulfonamide

N-[2-(4-ethylphenyl)-2-methylpropyl]-1-[(3R)-oxolan-3-yl]methanesulfonamide (PubChem CID 96563422) has the molecular formula C17H27NO3S and a molecular weight of 325.47 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)-2-methylpropyl]-1-[(3R)-oxolan-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)-2-methylpropyl]-1-[(3R)-oxolan-3-yl]methanesulfonamide
PubChem CID96563422
Molecular FormulaC17H27NO3S
Molecular Weight325.47 g/mol
Exact Mass325.17
IUPAC NameN-[2-(4-ethylphenyl)-2-methylpropyl]-1-[(3R)-oxolan-3-yl]methanesulfonamide
SMILESCCc1ccc(C(C)(C)CNS(=O)(=O)C[C@@H]2CCOC2)cc1
InChIInChI=1S/C17H27NO3S/c1-4-14-5-7-16(8-6-14)17(2,3)13-18-22(19,20)12-15-9-10-21-11-15/h5-8,15,18H,4,9-13H2,1-3H3/t15-/m1/s1
InChIKeyLAQXHXHCGZFOIO-OAHLLOKOSA-N
XLogP2.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Propane-2-sulfonic acid (2-biphenyl-4-yl-propyl)-amide
CID 10829310
Propane-2-sulfonic acid [2-(4''-methyl-biphenyl-4-yl)-propyl]-amide
CID 10853988
N-(2-(4-tert-butylphenyl)propyl)methanesulfonamide
CID 9795404
Propane-2-sulfonic acid [2-(4-tert-butyl-phenyl)-propyl]-amide
CID 9817709
Propane-2-sulfonic acid [2-(4-tert-butyl-phenyl)-butyl]-amide
CID 10519128
Propane-2-sulfonic acid [2-(4-tert-butyl-phenyl)-3-phenyl-propyl]-amide
CID 10571414
Propane-2-sulfonic acid [2-(4-tert-butyl-phenyl)-4-phenyl-butyl]-amide
CID 10620266
Propane-2-sulfonic acid [2-(4-tert-butyl-phenyl)-ethyl]-amide
CID 10660661
Propane-2-sulfonic acid [2-(4-tert-butyl-phenyl)-pentyl]-amide
CID 10829935
2-methoxy-N-[2-(3-methylphenyl)propyl]ethanesulfonamide
CID 72001377
N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)propane-1-sulfonamide
CID 45561173
1-(oxolan-3-yl)-N-(4-phenylbutan-2-yl)methanesulfonamide
CID 53544520

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)-2-methylpropyl]-1-[(3R)-oxolan-3-yl]methanesulfonamide?
The IUPAC name of N-[2-(4-ethylphenyl)-2-methylpropyl]-1-[(3R)-oxolan-3-yl]methanesulfonamide (CID 96563422) is N-[2-(4-ethylphenyl)-2-methylpropyl]-1-[(3R)-oxolan-3-yl]methanesulfonamide.
What is the SMILES notation for N-[2-(4-ethylphenyl)-2-methylpropyl]-1-[(3R)-oxolan-3-yl]methanesulfonamide?
The canonical SMILES for N-[2-(4-ethylphenyl)-2-methylpropyl]-1-[(3R)-oxolan-3-yl]methanesulfonamide is CCc1ccc(C(C)(C)CNS(=O)(=O)C[C@@H]2CCOC2)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)-2-methylpropyl]-1-[(3R)-oxolan-3-yl]methanesulfonamide?
The InChIKey is LAQXHXHCGZFOIO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27NO3S/c1-4-14-5-7-16(8-6-14)17(2,3)13-18-22(19,20)12-15-9-10-21-11-15/h5-8,15,18H,4,9-13H2,1-3H3/t15-/m1/s1.
What are the key properties of N-[2-(4-ethylphenyl)-2-methylpropyl]-1-[(3R)-oxolan-3-yl]methanesulfonamide?
N-[2-(4-ethylphenyl)-2-methylpropyl]-1-[(3R)-oxolan-3-yl]methanesulfonamide has a molecular weight of 325.47 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)-2-methylpropyl]-1-[(3R)-oxolan-3-yl]methanesulfonamide is sourced from PubChem (CID 96563422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).