N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide

C17H26N2O3S — CID 92527690

IUPACN-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(C)[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H26N2O3S/c1-13(2)14(3)18-17(20)15-8-7-9-16(12-15)23(21,22)19-10-5-4-6-11-19/h7-9,12-14H,4-6,10-11H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyUGBJSQGKQDBQEB-AWEZNQCLSA-N
MW338.47 g/mol
LogP2.64
Rot. Bonds5

About N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide

N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 92527690) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID92527690
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(C)[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H26N2O3S/c1-13(2)14(3)18-17(20)15-8-7-9-16(12-15)23(21,22)19-10-5-4-6-11-19/h7-9,12-14H,4-6,10-11H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyUGBJSQGKQDBQEB-AWEZNQCLSA-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
3-(azepan-1-ylsulfonyl)-N-[(1R,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide
CID 25360181
3-(azepan-1-ylsulfonyl)-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 53285860
N-(3-methylbutan-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 43053331
N-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2420116
N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 9301531
3-(azepan-1-ylsulfonyl)-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 99131768
N-[(1R)-1-(1-adamantyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 7929606
3-(azepan-1-ylsulfonyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 53285817
N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide
CID 132664657
N-[(2S)-2-hydroxypropyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 86781822
4-methyl-N-[(2R)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 8923305

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide (CID 92527690) is N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide is CC(C)[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is UGBJSQGKQDBQEB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13(2)14(3)18-17(20)15-8-7-9-16(12-15)23(21,22)19-10-5-4-6-11-19/h7-9,12-14H,4-6,10-11H2,1-3H3,(H,18,20)/t14-/m0/s1.
What are the key properties of N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide?
N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide 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-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 92527690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).