2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide

C17H26N2O3S — CID 46569060

IUPAC2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide
SMILESCCC(C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H26N2O3S/c1-4-13(2)17(20)18-15-9-8-14(3)16(12-15)23(21,22)19-10-6-5-7-11-19/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,18,20)
InChIKeySFYOXQMGPQRSPU-UHFFFAOYSA-N
MW338.47 g/mol
LogP3.15
Rot. Bonds5

About 2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide

2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide (PubChem CID 46569060) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide
PubChem CID46569060
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide
SMILESCCC(C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H26N2O3S/c1-4-13(2)17(20)18-15-9-8-14(3)16(12-15)23(21,22)19-10-6-5-7-11-19/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,18,20)
InChIKeySFYOXQMGPQRSPU-UHFFFAOYSA-N
XLogP3.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
2-amino-3-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide;hydrochloride
CID 119263670
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 92627242
2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide
CID 51331861
3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 24635475
3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119263648
N-[4-[(2R)-butan-2-yl]phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7935740
1-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(4-propan-2-ylphenyl)thiourea
CID 3941719
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 46489260
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide
CID 3602667
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 31321213

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide?
The IUPAC name of 2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide (CID 46569060) is 2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide.
What is the SMILES notation for 2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide?
The canonical SMILES for 2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide is CCC(C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide?
The InChIKey is SFYOXQMGPQRSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-4-13(2)17(20)18-15-9-8-14(3)16(12-15)23(21,22)19-10-6-5-7-11-19/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,18,20).
What are the key properties of 2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide?
2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide has a molecular weight of 338.47 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 46569060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).