N-(5-tert-butyl-2-methylphenyl)sulfonyloxane-2-carboxamide

C17H25NO4S — CID 154781593

IUPACN-(5-tert-butyl-2-methylphenyl)sulfonyloxane-2-carboxamide
SMILESCc1ccc(C(C)(C)C)cc1S(=O)(=O)NC(=O)C1CCCCO1
InChIInChI=1S/C17H25NO4S/c1-12-8-9-13(17(2,3)4)11-15(12)23(20,21)18-16(19)14-7-5-6-10-22-14/h8-9,11,14H,5-7,10H2,1-4H3,(H,18,19)
InChIKeyDSLMFJRRNDMFLO-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.67
Rot. Bonds3

About N-(5-tert-butyl-2-methylphenyl)sulfonyloxane-2-carboxamide

N-(5-tert-butyl-2-methylphenyl)sulfonyloxane-2-carboxamide (PubChem CID 154781593) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methylphenyl)sulfonyloxane-2-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methylphenyl)sulfonyloxane-2-carboxamide
PubChem CID154781593
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC NameN-(5-tert-butyl-2-methylphenyl)sulfonyloxane-2-carboxamide
SMILESCc1ccc(C(C)(C)C)cc1S(=O)(=O)NC(=O)C1CCCCO1
InChIInChI=1S/C17H25NO4S/c1-12-8-9-13(17(2,3)4)11-15(12)23(20,21)18-16(19)14-7-5-6-10-22-14/h8-9,11,14H,5-7,10H2,1-4H3,(H,18,19)
InChIKeyDSLMFJRRNDMFLO-UHFFFAOYSA-N
XLogP2.67
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-3-sulfamoylphenyl)oxane-2-carboxamide
CID 62213044
N-(4-tert-butylphenyl)oxane-2-carboxamide
CID 110858471
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
(2S)-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]oxolane-2-carboxamide
CID 40791461
N-[3-(dimethylsulfamoyl)-4-methylphenyl]oxolane-2-carboxamide
CID 42904547
N-(3-fluoro-4-methylphenyl)oxane-2-carboxamide
CID 155941835
1-[[4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoyl]amino]-3-(oxolan-2-ylmethyl)thiourea
CID 4676675
N-[3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 30805403
N-(5-tert-butyl-2-methylphenyl)sulfonyl-N'-methylbenzenecarboximidamide
CID 3789425
3-methyl-4-(oxolane-2-carbonylamino)benzoic acid
CID 16774236
4-methyl-3-[(2-methyloxolan-3-yl)sulfamoyl]benzoic acid
CID 82726035
(2R)-N-[(2R)-2-(4-bromophenyl)-3-methylbutan-2-yl]oxolane-2-carboxamide
CID 99795374

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methylphenyl)sulfonyloxane-2-carboxamide?
The IUPAC name of N-(5-tert-butyl-2-methylphenyl)sulfonyloxane-2-carboxamide (CID 154781593) is N-(5-tert-butyl-2-methylphenyl)sulfonyloxane-2-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-2-methylphenyl)sulfonyloxane-2-carboxamide?
The canonical SMILES for N-(5-tert-butyl-2-methylphenyl)sulfonyloxane-2-carboxamide is Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NC(=O)C1CCCCO1.
What is the InChIKey of N-(5-tert-butyl-2-methylphenyl)sulfonyloxane-2-carboxamide?
The InChIKey is DSLMFJRRNDMFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-12-8-9-13(17(2,3)4)11-15(12)23(20,21)18-16(19)14-7-5-6-10-22-14/h8-9,11,14H,5-7,10H2,1-4H3,(H,18,19).
What are the key properties of N-(5-tert-butyl-2-methylphenyl)sulfonyloxane-2-carboxamide?
N-(5-tert-butyl-2-methylphenyl)sulfonyloxane-2-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methylphenyl)sulfonyloxane-2-carboxamide is sourced from PubChem (CID 154781593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).