2-methyl-N-[4-[(1-methylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide

C17H27N3O3S — CID 16887477

IUPAC2-methyl-N-[4-[(1-methylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(S(=O)(=O)NCC2CCN(C)CC2)cc1
InChIInChI=1S/C17H27N3O3S/c1-13(2)17(21)19-15-4-6-16(7-5-15)24(22,23)18-12-14-8-10-20(3)11-9-14/h4-7,13-14,18H,8-12H2,1-3H3,(H,19,21)
InChIKeyMMSNAQMBIFEESO-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.90
Rot. Bonds6

About 2-methyl-N-[4-[(1-methylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide

2-methyl-N-[4-[(1-methylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide (PubChem CID 16887477) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-methyl-N-[4-[(1-methylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(1-methylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide
PubChem CID16887477
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name2-methyl-N-[4-[(1-methylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(S(=O)(=O)NCC2CCN(C)CC2)cc1
InChIInChI=1S/C17H27N3O3S/c1-13(2)17(21)19-15-4-6-16(7-5-15)24(22,23)18-12-14-8-10-20(3)11-9-14/h4-7,13-14,18H,8-12H2,1-3H3,(H,19,21)
InChIKeyMMSNAQMBIFEESO-UHFFFAOYSA-N
XLogP1.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-hydroxypropanamide
CID 167949883
N-[4-[[1-(2-methylpropyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide
CID 110291740
N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110736321
N-[4-[4-[(1-acetylpiperidin-4-yl)methylsulfamoyl]phenyl]phenyl]acetamide
CID 166195615
4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887423
4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887425
4-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60854923
2-methyl-N-[4-(prop-2-enylsulfamoyl)phenyl]propanamide
CID 6467571
2-methyl-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 17069914
N-[4-[[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexyl]methylsulfamoyl]phenyl]acetamide
CID 92506331
3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887427
N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 110736220

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(1-methylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[(1-methylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide (CID 16887477) is 2-methyl-N-[4-[(1-methylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[(1-methylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[(1-methylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide is CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC2CCN(C)CC2)cc1.
What is the InChIKey of 2-methyl-N-[4-[(1-methylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide?
The InChIKey is MMSNAQMBIFEESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-13(2)17(21)19-15-4-6-16(7-5-15)24(22,23)18-12-14-8-10-20(3)11-9-14/h4-7,13-14,18H,8-12H2,1-3H3,(H,19,21).
What are the key properties of 2-methyl-N-[4-[(1-methylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide?
2-methyl-N-[4-[(1-methylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide has a molecular weight of 353.49 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(1-methylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide is sourced from PubChem (CID 16887477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).