2-(5-tert-butyl-2-methylphenyl)sulfonyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide

C19H29NO3S — CID 78881039

IUPAC2-(5-tert-butyl-2-methylphenyl)sulfonyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CS(=O)(=O)c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C19H29NO3S/c1-8-20(12-14(2)3)18(21)13-24(22,23)17-11-16(19(5,6)7)10-9-15(17)4/h9-11H,2,8,12-13H2,1,3-7H3
InChIKeyOCWHALORRXTWJC-UHFFFAOYSA-N
MW351.51 g/mol
LogP3.49
Rot. Bonds6

About 2-(5-tert-butyl-2-methylphenyl)sulfonyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide

2-(5-tert-butyl-2-methylphenyl)sulfonyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide (PubChem CID 78881039) has the molecular formula C19H29NO3S and a molecular weight of 351.51 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methylphenyl)sulfonyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methylphenyl)sulfonyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide
PubChem CID78881039
Molecular FormulaC19H29NO3S
Molecular Weight351.51 g/mol
Exact Mass351.19
IUPAC Name2-(5-tert-butyl-2-methylphenyl)sulfonyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CS(=O)(=O)c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C19H29NO3S/c1-8-20(12-14(2)3)18(21)13-24(22,23)17-11-16(19(5,6)7)10-9-15(17)4/h9-11H,2,8,12-13H2,1,3-7H3
InChIKeyOCWHALORRXTWJC-UHFFFAOYSA-N
XLogP3.49
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.51
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 4-tert-butylbenzoate
CID 55318805
2-(3-chloro-4-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 55437543
N-ethyl-2-(5-fluoro-2-methylanilino)-N-(2-methylprop-2-enyl)acetamide
CID 134031279
N'-(5-tert-butyl-2-methylphenyl)sulfonyl-N,N-diethylbenzenecarboximidamide
CID 4271791
N-ethyl-2-(N-ethyl-2-methylanilino)-N-(2-methylprop-2-enyl)acetamide
CID 78820883
[4-[(5-tert-butyl-2-methylphenyl)sulfonylmethyl]phenyl]methanol
CID 110004753
4-tert-butyl-1-methyl-2-methylsulfonylbenzene
CID 123141469
N-[3-[ethyl(2-methylprop-2-enyl)sulfamoyl]-4-methylphenyl]acetamide
CID 39792493
2-(4-bromo-2-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 55439320
3-(2-bromoprop-2-enylsulfonyl)-4-methylbenzoic acid
CID 60873963
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 55316004
5-tert-butyl-N-ethoxy-2-methylbenzenesulfonamide
CID 115279308

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-methylphenyl)sulfonyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-(5-tert-butyl-2-methylphenyl)sulfonyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide (CID 78881039) is 2-(5-tert-butyl-2-methylphenyl)sulfonyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-(5-tert-butyl-2-methylphenyl)sulfonyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-(5-tert-butyl-2-methylphenyl)sulfonyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)CS(=O)(=O)c1cc(C(C)(C)C)ccc1C.
What is the InChIKey of 2-(5-tert-butyl-2-methylphenyl)sulfonyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is OCWHALORRXTWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3S/c1-8-20(12-14(2)3)18(21)13-24(22,23)17-11-16(19(5,6)7)10-9-15(17)4/h9-11H,2,8,12-13H2,1,3-7H3.
What are the key properties of 2-(5-tert-butyl-2-methylphenyl)sulfonyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
2-(5-tert-butyl-2-methylphenyl)sulfonyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 351.51 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-methylphenyl)sulfonyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 78881039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).