N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-4-methoxybenzamide

C17H26N2O4S — CID 7618148

IUPACN-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCS(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1
InChIInChI=1S/C17H26N2O4S/c1-13-10-14(2)12-19(11-13)24(21,22)9-8-18-17(20)15-4-6-16(23-3)7-5-15/h4-7,13-14H,8-12H2,1-3H3,(H,18,20)/t13-,14-/m0/s1
InChIKeyYOQDFYYLTGQMGG-KBPBESRZSA-N
MW354.47 g/mol
LogP1.73
Rot. Bonds6

About N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-4-methoxybenzamide

N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-4-methoxybenzamide (PubChem CID 7618148) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-4-methoxybenzamide
PubChem CID7618148
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCS(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1
InChIInChI=1S/C17H26N2O4S/c1-13-10-14(2)12-19(11-13)24(21,22)9-8-18-17(20)15-4-6-16(23-3)7-5-15/h4-7,13-14H,8-12H2,1-3H3,(H,18,20)/t13-,14-/m0/s1
InChIKeyYOQDFYYLTGQMGG-KBPBESRZSA-N
XLogP1.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-3-methoxybenzamide
CID 7601079
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 44961219
N-[2-[(3S)-3-methylpiperidin-1-yl]sulfonylethyl]benzamide
CID 7423212
N-butyl-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 9414256
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1,3-benzodioxole-5-carboxamide
CID 18582856
methyl 6-[[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]hexanoate
CID 9221041
methyl 6-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]hexanoate
CID 9221043
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide
CID 51726434
4-methoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42438917
N-(3-aminobutyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 119499240
N-[(2,4-dimethoxyphenyl)methyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
CID 46590391
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-methoxybenzamide
CID 94123444

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-4-methoxybenzamide (CID 7618148) is N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCS(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1.
What is the InChIKey of N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-4-methoxybenzamide?
The InChIKey is YOQDFYYLTGQMGG-KBPBESRZSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-13-10-14(2)12-19(11-13)24(21,22)9-8-18-17(20)15-4-6-16(23-3)7-5-15/h4-7,13-14H,8-12H2,1-3H3,(H,18,20)/t13-,14-/m0/s1.
What are the key properties of N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-4-methoxybenzamide?
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-4-methoxybenzamide has a molecular weight of 354.47 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-4-methoxybenzamide is sourced from PubChem (CID 7618148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).