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

C17H26N2O4S — CID 7601079

IUPACN-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCS(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1
InChIInChI=1S/C17H26N2O4S/c1-13-9-14(2)12-19(11-13)24(21,22)8-7-18-17(20)15-5-4-6-16(10-15)23-3/h4-6,10,13-14H,7-9,11-12H2,1-3H3,(H,18,20)/t13-,14+
InChIKeyDNVVLGXFGUVSFH-OKILXGFUSA-N
MW354.47 g/mol
LogP1.73
Rot. Bonds6

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

N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-3-methoxybenzamide (PubChem CID 7601079) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-3-methoxybenzamide
PubChem CID7601079
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCS(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1
InChIInChI=1S/C17H26N2O4S/c1-13-9-14(2)12-19(11-13)24(21,22)8-7-18-17(20)15-5-4-6-16(10-15)23-3/h4-6,10,13-14H,7-9,11-12H2,1-3H3,(H,18,20)/t13-,14+
InChIKeyDNVVLGXFGUVSFH-OKILXGFUSA-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-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-4-methoxybenzamide
CID 7618148
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-methoxybenzamide
CID 94123444
3-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide
CID 7601092
N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3-methoxybenzamide
CID 7601105
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-3-methoxybenzamide
CID 7601104
3-methoxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175212
N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 40718415
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide
CID 42959769
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[2-(cycloheptylsulfamoyl)ethyl]-3-methoxybenzamide
CID 7618048
3-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
CID 113064974
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55407954

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-3-methoxybenzamide (CID 7601079) is N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCS(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1.
What is the InChIKey of N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-3-methoxybenzamide?
The InChIKey is DNVVLGXFGUVSFH-OKILXGFUSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-13-9-14(2)12-19(11-13)24(21,22)8-7-18-17(20)15-5-4-6-16(10-15)23-3/h4-6,10,13-14H,7-9,11-12H2,1-3H3,(H,18,20)/t13-,14+.
What are the key properties of N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-3-methoxybenzamide?
N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-3-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-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-3-methoxybenzamide is sourced from PubChem (CID 7601079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).