N-tert-butyl-2-tert-butylsulfinamoylbenzamide

C15H24N2O2S — CID 10990130

IUPACN-tert-butyl-2-tert-butylsulfinamoylbenzamide
SMILESCC(C)(C)NC(=O)c1ccccc1S(=O)NC(C)(C)C
InChIInChI=1S/C15H24N2O2S/c1-14(2,3)16-13(18)11-9-7-8-10-12(11)20(19)17-15(4,5)6/h7-10,17H,1-6H3,(H,16,18)
InChIKeyWSUMSYMPHOQBJV-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.63
Rot. Bonds3

About N-tert-butyl-2-tert-butylsulfinamoylbenzamide

N-tert-butyl-2-tert-butylsulfinamoylbenzamide (PubChem CID 10990130) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-tert-butyl-2-tert-butylsulfinamoylbenzamide.

Molecular Properties

Compound NameN-tert-butyl-2-tert-butylsulfinamoylbenzamide
PubChem CID10990130
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-tert-butyl-2-tert-butylsulfinamoylbenzamide
SMILESCC(C)(C)NC(=O)c1ccccc1S(=O)NC(C)(C)C
InChIInChI=1S/C15H24N2O2S/c1-14(2,3)16-13(18)11-9-7-8-10-12(11)20(19)17-15(4,5)6/h7-10,17H,1-6H3,(H,16,18)
InChIKeyWSUMSYMPHOQBJV-UHFFFAOYSA-N
XLogP2.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
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1-N,2-N,3-N-tritert-butylbenzene-1,2,3-tricarboxamide
CID 141065547
methyl 2-(tert-butylcarbamoyl)benzoate
CID 108785469
N-tert-butyl-2-(2-phenylacetyl)benzamide
CID 15197823
N-tert-butyl-2-(difluoromethylsulfanyl)benzamide
CID 60645913
[2-(tert-butylcarbamoyl)phenyl] thiocyanate
CID 88721437
2-(bromomethyl)-N-tert-butylbenzamide
CID 82110404
N-tert-butyl-2-thiophen-2-ylsulfanylbenzamide
CID 101454258
N-tert-butyl-2-(4-methylphenyl)benzamide
CID 19036093

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-tert-butylsulfinamoylbenzamide?
The IUPAC name of N-tert-butyl-2-tert-butylsulfinamoylbenzamide (CID 10990130) is N-tert-butyl-2-tert-butylsulfinamoylbenzamide.
What is the SMILES notation for N-tert-butyl-2-tert-butylsulfinamoylbenzamide?
The canonical SMILES for N-tert-butyl-2-tert-butylsulfinamoylbenzamide is CC(C)(C)NC(=O)c1ccccc1S(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-tert-butylsulfinamoylbenzamide?
The InChIKey is WSUMSYMPHOQBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-14(2,3)16-13(18)11-9-7-8-10-12(11)20(19)17-15(4,5)6/h7-10,17H,1-6H3,(H,16,18).
What are the key properties of N-tert-butyl-2-tert-butylsulfinamoylbenzamide?
N-tert-butyl-2-tert-butylsulfinamoylbenzamide has a molecular weight of 296.44 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-tert-butylsulfinamoylbenzamide is sourced from PubChem (CID 10990130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).