N-[1-(4-tert-butylphenyl)-2-methylpropyl]oxolane-3-sulfonamide

C18H29NO3S — CID 167774105

IUPACN-[1-(4-tert-butylphenyl)-2-methylpropyl]oxolane-3-sulfonamide
SMILESCC(C)C(NS(=O)(=O)C1CCOC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H29NO3S/c1-13(2)17(19-23(20,21)16-10-11-22-12-16)14-6-8-15(9-7-14)18(3,4)5/h6-9,13,16-17,19H,10-12H2,1-5H3
InChIKeyWPILDJGJBVYSIT-UHFFFAOYSA-N
MW339.50 g/mol
LogP3.39
Rot. Bonds5

About N-[1-(4-tert-butylphenyl)-2-methylpropyl]oxolane-3-sulfonamide

N-[1-(4-tert-butylphenyl)-2-methylpropyl]oxolane-3-sulfonamide (PubChem CID 167774105) has the molecular formula C18H29NO3S and a molecular weight of 339.50 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)-2-methylpropyl]oxolane-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)-2-methylpropyl]oxolane-3-sulfonamide
PubChem CID167774105
Molecular FormulaC18H29NO3S
Molecular Weight339.50 g/mol
Exact Mass339.19
IUPAC NameN-[1-(4-tert-butylphenyl)-2-methylpropyl]oxolane-3-sulfonamide
SMILESCC(C)C(NS(=O)(=O)C1CCOC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H29NO3S/c1-13(2)17(19-23(20,21)16-10-11-22-12-16)14-6-8-15(9-7-14)18(3,4)5/h6-9,13,16-17,19H,10-12H2,1-5H3
InChIKeyWPILDJGJBVYSIT-UHFFFAOYSA-N
XLogP3.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-propan-2-yloxolane-3-sulfonamide
CID 97175132
(3R)-N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]oxolane-3-sulfonamide
CID 97317377
N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]cyclobutanecarboxamide
CID 30906945
1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43674130
N-propan-2-yloxane-3-sulfonamide
CID 130684869
[(4-tert-butylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105229515
(3R)-N-[(S)-(4-tert-butylphenyl)-cyanomethyl]oxolane-3-carboxamide
CID 95617394
N-[1-(3,4-dimethoxy-2-methylphenyl)ethyl]oxolane-3-sulfonamide
CID 167940502
(3R)-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]oxolane-3-sulfonamide
CID 97225704
(2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-cyclopropylpropanamide
CID 9129614
N-(4-tert-butylphenyl)oxolane-3-carboxamide
CID 47443367
N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]cyclopropanesulfonamide
CID 136585170

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)-2-methylpropyl]oxolane-3-sulfonamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)-2-methylpropyl]oxolane-3-sulfonamide (CID 167774105) is N-[1-(4-tert-butylphenyl)-2-methylpropyl]oxolane-3-sulfonamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)-2-methylpropyl]oxolane-3-sulfonamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)-2-methylpropyl]oxolane-3-sulfonamide is CC(C)C(NS(=O)(=O)C1CCOC1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)-2-methylpropyl]oxolane-3-sulfonamide?
The InChIKey is WPILDJGJBVYSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3S/c1-13(2)17(19-23(20,21)16-10-11-22-12-16)14-6-8-15(9-7-14)18(3,4)5/h6-9,13,16-17,19H,10-12H2,1-5H3.
What are the key properties of N-[1-(4-tert-butylphenyl)-2-methylpropyl]oxolane-3-sulfonamide?
N-[1-(4-tert-butylphenyl)-2-methylpropyl]oxolane-3-sulfonamide has a molecular weight of 339.50 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)-2-methylpropyl]oxolane-3-sulfonamide is sourced from PubChem (CID 167774105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).