4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide

C17H26N2O3S — CID 109058847

IUPAC4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(S(=O)(=O)N2CCCC(C)C2)cc1
InChIInChI=1S/C17H26N2O3S/c1-13(2)11-18-17(20)15-6-8-16(9-7-15)23(21,22)19-10-4-5-14(3)12-19/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,18,20)
InChIKeyLFIYSGSHSUGOOY-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.49
Rot. Bonds5

About 4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide

4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide (PubChem CID 109058847) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
PubChem CID109058847
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(S(=O)(=O)N2CCCC(C)C2)cc1
InChIInChI=1S/C17H26N2O3S/c1-13(2)11-18-17(20)15-6-8-16(9-7-15)23(21,22)19-10-4-5-14(3)12-19/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,18,20)
InChIKeyLFIYSGSHSUGOOY-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[[4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate
CID 41210171
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
CID 109061005
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974
4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid
CID 1132674
2-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111059257
4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoate
CID 6969777
N-(2,2-difluoroethyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide
CID 97139801
N,N-diethyl-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 78777244
4-(3-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 109060909
4-(acetamidomethyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 46820186
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 98449460
[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone
CID 40791712

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide (CID 109058847) is 4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccc(S(=O)(=O)N2CCCC(C)C2)cc1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide?
The InChIKey is LFIYSGSHSUGOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13(2)11-18-17(20)15-6-8-16(9-7-15)23(21,22)19-10-4-5-14(3)12-19/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,18,20).
What are the key properties of 4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide?
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide has a molecular weight of 338.47 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 109058847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).