2-(2-tert-butyl-N-methylsulfonylanilino)-N-prop-2-enylacetamide

C16H24N2O3S — CID 113154543

IUPAC2-(2-tert-butyl-N-methylsulfonylanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(c1ccccc1C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C16H24N2O3S/c1-6-11-17-15(19)12-18(22(5,20)21)14-10-8-7-9-13(14)16(2,3)4/h6-10H,1,11-12H2,2-5H3,(H,17,19)
InChIKeyLMQWDVGLEBRAFR-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.05
Rot. Bonds6

About 2-(2-tert-butyl-N-methylsulfonylanilino)-N-prop-2-enylacetamide

2-(2-tert-butyl-N-methylsulfonylanilino)-N-prop-2-enylacetamide (PubChem CID 113154543) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-(2-tert-butyl-N-methylsulfonylanilino)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-N-methylsulfonylanilino)-N-prop-2-enylacetamide
PubChem CID113154543
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name2-(2-tert-butyl-N-methylsulfonylanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(c1ccccc1C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C16H24N2O3S/c1-6-11-17-15(19)12-18(22(5,20)21)14-10-8-7-9-13(14)16(2,3)4/h6-10H,1,11-12H2,2-5H3,(H,17,19)
InChIKeyLMQWDVGLEBRAFR-UHFFFAOYSA-N
XLogP2.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113069583
2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylacetamide
CID 113156897
2-(2-tert-butyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 113154589
2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-prop-2-enylacetamide
CID 113156103
1-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113069597
N-(2-tert-butylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154127
N-butyl-3-(2-tert-butyl-N-methylsulfonylanilino)propanamide
CID 113143293
N-butyl-2-(2-tert-butyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113154582
N-butyl-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide
CID 113155453
N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113069578
2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide
CID 2194495
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide
CID 2271965

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-N-methylsulfonylanilino)-N-prop-2-enylacetamide?
The IUPAC name of 2-(2-tert-butyl-N-methylsulfonylanilino)-N-prop-2-enylacetamide (CID 113154543) is 2-(2-tert-butyl-N-methylsulfonylanilino)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(2-tert-butyl-N-methylsulfonylanilino)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(2-tert-butyl-N-methylsulfonylanilino)-N-prop-2-enylacetamide is C=CCNC(=O)CN(c1ccccc1C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of 2-(2-tert-butyl-N-methylsulfonylanilino)-N-prop-2-enylacetamide?
The InChIKey is LMQWDVGLEBRAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-6-11-17-15(19)12-18(22(5,20)21)14-10-8-7-9-13(14)16(2,3)4/h6-10H,1,11-12H2,2-5H3,(H,17,19).
What are the key properties of 2-(2-tert-butyl-N-methylsulfonylanilino)-N-prop-2-enylacetamide?
2-(2-tert-butyl-N-methylsulfonylanilino)-N-prop-2-enylacetamide has a molecular weight of 324.45 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-N-methylsulfonylanilino)-N-prop-2-enylacetamide is sourced from PubChem (CID 113154543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).