4-tert-butyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide

C20H27NO4S — CID 5224121

IUPAC4-tert-butyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N(Cc2ccco2)CC2CCCO2)cc1
InChIInChI=1S/C20H27NO4S/c1-20(2,3)16-8-10-19(11-9-16)26(22,23)21(14-17-6-4-12-24-17)15-18-7-5-13-25-18/h4,6,8-12,18H,5,7,13-15H2,1-3H3
InChIKeyPQLNOWQFOZGDTA-UHFFFAOYSA-N
MW377.51 g/mol
LogP3.95
Rot. Bonds6

About 4-tert-butyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide

4-tert-butyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 5224121) has the molecular formula C20H27NO4S and a molecular weight of 377.51 g/mol. Its IUPAC name is 4-tert-butyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID5224121
Molecular FormulaC20H27NO4S
Molecular Weight377.51 g/mol
Exact Mass377.17
IUPAC Name4-tert-butyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N(Cc2ccco2)CC2CCCO2)cc1
InChIInChI=1S/C20H27NO4S/c1-20(2,3)16-8-10-19(11-9-16)26(22,23)21(14-17-6-4-12-24-17)15-18-7-5-13-25-18/h4,6,8-12,18H,5,7,13-15H2,1-3H3
InChIKeyPQLNOWQFOZGDTA-UHFFFAOYSA-N
XLogP3.95
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-benzyl-1-N-ethyl-4-N-(furan-2-ylmethyl)-4-N-[[(2S)-oxolan-2-yl]methyl]benzene-1,4-disulfonamide
CID 25410526
4-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3192388
2-[(4-tert-butylphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 4648948
4-chloro-N-(furan-2-ylmethyl)-3-nitro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 42664623
4-tert-butyl-N-(2-cyanoethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3480817
5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 6618527
3-cyclopentylidene-N-(furan-2-ylmethyl)-1-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]indole-5-sulfonamide
CID 94069364
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
CID 92519037
N-(2-cyanoethyl)-4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3694274
4-(azepan-1-ylsulfonyl)-N-[(4-tert-butylphenyl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 3192393
N-(furan-2-ylmethyl)-1,2,5-trimethyl-N-(oxolan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 50792013
N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-2-[(4-nitrophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide
CID 4689797

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 5224121) is 4-tert-butyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)N(Cc2ccco2)CC2CCCO2)cc1.
What is the InChIKey of 4-tert-butyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is PQLNOWQFOZGDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4S/c1-20(2,3)16-8-10-19(11-9-16)26(22,23)21(14-17-6-4-12-24-17)15-18-7-5-13-25-18/h4,6,8-12,18H,5,7,13-15H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
4-tert-butyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 377.51 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 5224121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).