N-(3,4-dimethyl-5-piperidin-1-ylsulfonylphenyl)-2,2-dimethylbutanamide

C19H30N2O3S — CID 46224662

IUPACN-(3,4-dimethyl-5-piperidin-1-ylsulfonylphenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H30N2O3S/c1-6-19(4,5)18(22)20-16-12-14(2)15(3)17(13-16)25(23,24)21-10-8-7-9-11-21/h12-13H,6-11H2,1-5H3,(H,20,22)
InChIKeyGRVIRAHUADMZRK-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.85
Rot. Bonds5

About N-(3,4-dimethyl-5-piperidin-1-ylsulfonylphenyl)-2,2-dimethylbutanamide

N-(3,4-dimethyl-5-piperidin-1-ylsulfonylphenyl)-2,2-dimethylbutanamide (PubChem CID 46224662) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-(3,4-dimethyl-5-piperidin-1-ylsulfonylphenyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-5-piperidin-1-ylsulfonylphenyl)-2,2-dimethylbutanamide
PubChem CID46224662
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-(3,4-dimethyl-5-piperidin-1-ylsulfonylphenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H30N2O3S/c1-6-19(4,5)18(22)20-16-12-14(2)15(3)17(13-16)25(23,24)21-10-8-7-9-11-21/h12-13H,6-11H2,1-5H3,(H,20,22)
InChIKeyGRVIRAHUADMZRK-UHFFFAOYSA-N
XLogP3.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-5-piperidin-1-ylsulfonylphenyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(3,4-dimethyl-5-piperidin-1-ylsulfonylphenyl)-2,2-dimethylbutanamide (CID 46224662) is N-(3,4-dimethyl-5-piperidin-1-ylsulfonylphenyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(3,4-dimethyl-5-piperidin-1-ylsulfonylphenyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(3,4-dimethyl-5-piperidin-1-ylsulfonylphenyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(3,4-dimethyl-5-piperidin-1-ylsulfonylphenyl)-2,2-dimethylbutanamide?
The InChIKey is GRVIRAHUADMZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-6-19(4,5)18(22)20-16-12-14(2)15(3)17(13-16)25(23,24)21-10-8-7-9-11-21/h12-13H,6-11H2,1-5H3,(H,20,22).
What are the key properties of N-(3,4-dimethyl-5-piperidin-1-ylsulfonylphenyl)-2,2-dimethylbutanamide?
N-(3,4-dimethyl-5-piperidin-1-ylsulfonylphenyl)-2,2-dimethylbutanamide has a molecular weight of 366.53 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-5-piperidin-1-ylsulfonylphenyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 46224662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).