N-(3-tert-butylpenta-3,4-dienyl)-4-methylbenzenesulfonamide

C16H23NO2S — CID 102272029

IUPACN-(3-tert-butylpenta-3,4-dienyl)-4-methylbenzenesulfonamide
SMILESC=C=C(CCNS(=O)(=O)c1ccc(C)cc1)C(C)(C)C
InChIInChI=1S/C16H23NO2S/c1-6-14(16(3,4)5)11-12-17-20(18,19)15-9-7-13(2)8-10-15/h7-10,17H,1,11-12H2,2-5H3
InChIKeyJXJLXVQVOCQETA-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.42
Rot. Bonds5

About N-(3-tert-butylpenta-3,4-dienyl)-4-methylbenzenesulfonamide

N-(3-tert-butylpenta-3,4-dienyl)-4-methylbenzenesulfonamide (PubChem CID 102272029) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-(3-tert-butylpenta-3,4-dienyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-tert-butylpenta-3,4-dienyl)-4-methylbenzenesulfonamide
PubChem CID102272029
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-(3-tert-butylpenta-3,4-dienyl)-4-methylbenzenesulfonamide
SMILESC=C=C(CCNS(=O)(=O)c1ccc(C)cc1)C(C)(C)C
InChIInChI=1S/C16H23NO2S/c1-6-14(16(3,4)5)11-12-17-20(18,19)15-9-7-13(2)8-10-15/h7-10,17H,1,11-12H2,2-5H3
InChIKeyJXJLXVQVOCQETA-UHFFFAOYSA-N
XLogP3.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(4-methylhexa-4,5-dienyl)benzenesulfonamide
CID 102287422
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17154059
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9314922
4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]hex-3-ynyl]benzenesulfonamide
CID 100943896
propan-2-yl 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 26540834
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
4-methyl-N-(5-methylhex-5-enyl)benzenesulfonamide
CID 100928656
N-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 171485871
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073
4-methyl-N-[2-(methylideneamino)ethyl]benzenesulfonamide
CID 3448478
N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 10424386
3-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide
CID 17154050

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylpenta-3,4-dienyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-tert-butylpenta-3,4-dienyl)-4-methylbenzenesulfonamide (CID 102272029) is N-(3-tert-butylpenta-3,4-dienyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-tert-butylpenta-3,4-dienyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-tert-butylpenta-3,4-dienyl)-4-methylbenzenesulfonamide is C=C=C(CCNS(=O)(=O)c1ccc(C)cc1)C(C)(C)C.
What is the InChIKey of N-(3-tert-butylpenta-3,4-dienyl)-4-methylbenzenesulfonamide?
The InChIKey is JXJLXVQVOCQETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-6-14(16(3,4)5)11-12-17-20(18,19)15-9-7-13(2)8-10-15/h7-10,17H,1,11-12H2,2-5H3.
What are the key properties of N-(3-tert-butylpenta-3,4-dienyl)-4-methylbenzenesulfonamide?
N-(3-tert-butylpenta-3,4-dienyl)-4-methylbenzenesulfonamide has a molecular weight of 293.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylpenta-3,4-dienyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 102272029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).