2-[butan-2-yl(methylsulfonyl)amino]-N-(4-cyanophenyl)acetamide

C14H19N3O3S — CID 113148818

IUPAC2-[butan-2-yl(methylsulfonyl)amino]-N-(4-cyanophenyl)acetamide
SMILESCCC(C)N(CC(=O)Nc1ccc(C#N)cc1)S(C)(=O)=O
InChIInChI=1S/C14H19N3O3S/c1-4-11(2)17(21(3,19)20)10-14(18)16-13-7-5-12(9-15)6-8-13/h5-8,11H,4,10H2,1-3H3,(H,16,18)
InChIKeyXQMHXDINKMPOQJ-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.56
Rot. Bonds6

About 2-[butan-2-yl(methylsulfonyl)amino]-N-(4-cyanophenyl)acetamide

2-[butan-2-yl(methylsulfonyl)amino]-N-(4-cyanophenyl)acetamide (PubChem CID 113148818) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[butan-2-yl(methylsulfonyl)amino]-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[butan-2-yl(methylsulfonyl)amino]-N-(4-cyanophenyl)acetamide
PubChem CID113148818
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-[butan-2-yl(methylsulfonyl)amino]-N-(4-cyanophenyl)acetamide
SMILESCCC(C)N(CC(=O)Nc1ccc(C#N)cc1)S(C)(=O)=O
InChIInChI=1S/C14H19N3O3S/c1-4-11(2)17(21(3,19)20)10-14(18)16-13-7-5-12(9-15)6-8-13/h5-8,11H,4,10H2,1-3H3,(H,16,18)
InChIKeyXQMHXDINKMPOQJ-UHFFFAOYSA-N
XLogP1.56
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(butan-2-yl)amino]-N-(4-cyanophenyl)acetamide
CID 113159199
2-[butan-2-yl(methylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 113148782
N-(3-acetamidophenyl)-2-[butan-2-yl(methylsulfonyl)amino]acetamide
CID 113148772
N-(4-cyanophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150229
N-(4-cyanophenyl)-2-[methyl(2-methylsulfonylethyl)amino]acetamide
CID 78925005
2-[butan-2-yl(methylsulfonyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113148752
N-(4-cyanophenyl)-2-[ethyl(propyl)amino]acetamide
CID 43268748
3-[[2-(4-cyanoanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62852803
N-(4-cyanophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151892
N-(4-cyanophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 113155262
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
3-(4-cyano-N-methylsulfonylanilino)-N-(4-cyanophenyl)propanamide
CID 113147041

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(methylsulfonyl)amino]-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-[butan-2-yl(methylsulfonyl)amino]-N-(4-cyanophenyl)acetamide (CID 113148818) is 2-[butan-2-yl(methylsulfonyl)amino]-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-[butan-2-yl(methylsulfonyl)amino]-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-[butan-2-yl(methylsulfonyl)amino]-N-(4-cyanophenyl)acetamide is CCC(C)N(CC(=O)Nc1ccc(C#N)cc1)S(C)(=O)=O.
What is the InChIKey of 2-[butan-2-yl(methylsulfonyl)amino]-N-(4-cyanophenyl)acetamide?
The InChIKey is XQMHXDINKMPOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-4-11(2)17(21(3,19)20)10-14(18)16-13-7-5-12(9-15)6-8-13/h5-8,11H,4,10H2,1-3H3,(H,16,18).
What are the key properties of 2-[butan-2-yl(methylsulfonyl)amino]-N-(4-cyanophenyl)acetamide?
2-[butan-2-yl(methylsulfonyl)amino]-N-(4-cyanophenyl)acetamide has a molecular weight of 309.39 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(methylsulfonyl)amino]-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 113148818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).