N-butan-2-yl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide

C17H26N2O3S — CID 109063050

IUPACN-butan-2-yl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCC(C)NC(=O)c1cccc(S(=O)(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C17H26N2O3S/c1-4-14(3)18-17(20)15-8-5-9-16(11-15)23(21,22)19-10-6-7-13(2)12-19/h5,8-9,11,13-14H,4,6-7,10,12H2,1-3H3,(H,18,20)
InChIKeyBBNVEUPWYHHGJS-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.64
Rot. Bonds5

About N-butan-2-yl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide

N-butan-2-yl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 109063050) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-butan-2-yl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID109063050
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-butan-2-yl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCC(C)NC(=O)c1cccc(S(=O)(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C17H26N2O3S/c1-4-14(3)18-17(20)15-8-5-9-16(11-15)23(21,22)19-10-6-7-13(2)12-19/h5,8-9,11,13-14H,4,6-7,10,12H2,1-3H3,(H,18,20)
InChIKeyBBNVEUPWYHHGJS-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316
N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109065250
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109065568
(2-ethylpiperidin-1-yl)-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 109065552
N-methyl-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
CID 60873418
3-[(3S)-3-methylpyrrolidin-1-yl]sulfonylbenzoic acid
CID 167493964
2-[4-(azepan-1-ylsulfonyl)anilino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829385
3-(butylsulfamoyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17226865
3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(2S)-6-methylheptan-2-yl]benzamide
CID 25486199
1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]ethanone
CID 110829801
2-[(4-methylphenyl)methylamino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110824705

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-butan-2-yl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide (CID 109063050) is N-butan-2-yl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-butan-2-yl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-butan-2-yl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide is CCC(C)NC(=O)c1cccc(S(=O)(=O)N2CCCC(C)C2)c1.
What is the InChIKey of N-butan-2-yl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is BBNVEUPWYHHGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-4-14(3)18-17(20)15-8-5-9-16(11-15)23(21,22)19-10-6-7-13(2)12-19/h5,8-9,11,13-14H,4,6-7,10,12H2,1-3H3,(H,18,20).
What are the key properties of N-butan-2-yl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide?
N-butan-2-yl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 338.47 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 109063050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).