3-(methanesulfonamido)-4-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide

C18H29N3O3S — CID 51126883

IUPAC3-(methanesulfonamido)-4-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
SMILESCc1ccc(C(=O)NCC(C)N2CCC(C)CC2)cc1NS(C)(=O)=O
InChIInChI=1S/C18H29N3O3S/c1-13-7-9-21(10-8-13)15(3)12-19-18(22)16-6-5-14(2)17(11-16)20-25(4,23)24/h5-6,11,13,15,20H,7-10,12H2,1-4H3,(H,19,22)
InChIKeyVTAJCQMMAZYDED-UHFFFAOYSA-N
MW367.52 g/mol
LogP2.22
Rot. Bonds6

About 3-(methanesulfonamido)-4-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide

3-(methanesulfonamido)-4-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 51126883) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 3-(methanesulfonamido)-4-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-4-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
PubChem CID51126883
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name3-(methanesulfonamido)-4-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
SMILESCc1ccc(C(=O)NCC(C)N2CCC(C)CC2)cc1NS(C)(=O)=O
InChIInChI=1S/C18H29N3O3S/c1-13-7-9-21(10-8-13)15(3)12-19-18(22)16-6-5-14(2)17(11-16)20-25(4,23)24/h5-6,11,13,15,20H,7-10,12H2,1-4H3,(H,19,22)
InChIKeyVTAJCQMMAZYDED-UHFFFAOYSA-N
XLogP2.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-benzodioxole-5-carboxamide
CID 112502468
N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434
3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 55717869
5-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride
CID 120645515
N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methanesulfonamido)-4-methylbenzamide
CID 99845628
3-(methanesulfonamido)-4-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 53281831
3-(methanesulfonamido)-4-methyl-N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide
CID 51948213
2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-3-sulfamoylbenzamide
CID 75431995
3-bromo-5-fluoro-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 110620744
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methanesulfonamido)-4-methylbenzamide
CID 49073210
2-benzyl-3-[[3-(methanesulfonamido)-4-methylbenzoyl]amino]propanoic acid
CID 119233760
3-(methanesulfonamido)-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392350

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-4-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 3-(methanesulfonamido)-4-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide (CID 51126883) is 3-(methanesulfonamido)-4-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-4-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 3-(methanesulfonamido)-4-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide is Cc1ccc(C(=O)NCC(C)N2CCC(C)CC2)cc1NS(C)(=O)=O.
What is the InChIKey of 3-(methanesulfonamido)-4-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide?
The InChIKey is VTAJCQMMAZYDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-13-7-9-21(10-8-13)15(3)12-19-18(22)16-6-5-14(2)17(11-16)20-25(4,23)24/h5-6,11,13,15,20H,7-10,12H2,1-4H3,(H,19,22).
What are the key properties of 3-(methanesulfonamido)-4-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide?
3-(methanesulfonamido)-4-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide has a molecular weight of 367.52 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-4-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 51126883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).