N-(2-tert-butylphenyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide

C18H28N2O3S — CID 110667709

IUPACN-(2-tert-butylphenyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1C(C)(C)C
InChIInChI=1S/C18H28N2O3S/c1-18(2,3)15-8-6-7-9-16(15)19(4)17(21)14-10-12-20(13-11-14)24(5,22)23/h6-9,14H,10-13H2,1-5H3
InChIKeyDDLQMVWPSXQDAK-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.62
Rot. Bonds3

About N-(2-tert-butylphenyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide

N-(2-tert-butylphenyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 110667709) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID110667709
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-(2-tert-butylphenyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1C(C)(C)C
InChIInChI=1S/C18H28N2O3S/c1-18(2,3)15-8-6-7-9-16(15)19(4)17(21)14-10-12-20(13-11-14)24(5,22)23/h6-9,14H,10-13H2,1-5H3
InChIKeyDDLQMVWPSXQDAK-UHFFFAOYSA-N
XLogP2.62
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-tert-butylphenyl)-N-methylcyclohexanecarboxamide
CID 84512216
N-[2-(dimethylamino)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 30875404
N-ethyl-1-methylsulfonyl-N-phenylpiperidine-4-carboxamide
CID 51320930
N-benzyl-1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 110700192
N-methyl-1-(2-methylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 113006264
N-methyl-1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 16935033
N-methyl-N-(2-methylphenyl)cyclopropanecarboxamide
CID 64593225
2,2-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)propan-1-one
CID 118217451
N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113069578
tert-butyl 4-[(2-bromophenyl)-methylcarbamoyl]piperidine-1-carboxylate
CID 12027636
1-benzylsulfonyl-N-methyl-N-phenylpiperidine-4-carboxamide
CID 28633931
N-(2-tert-butylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113154551

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide (CID 110667709) is N-(2-tert-butylphenyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide is CN(C(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylphenyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is DDLQMVWPSXQDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-18(2,3)15-8-6-7-9-16(15)19(4)17(21)14-10-12-20(13-11-14)24(5,22)23/h6-9,14H,10-13H2,1-5H3.
What are the key properties of N-(2-tert-butylphenyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
N-(2-tert-butylphenyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 110667709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).