2-methoxy-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-propylbenzamide

C17H26N2O4S — CID 27260668

IUPAC2-methoxy-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-propylbenzamide
SMILESCCCNC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)ccc1OC
InChIInChI=1S/C17H26N2O4S/c1-4-9-18-17(20)15-11-14(7-8-16(15)23-3)24(21,22)19-10-5-6-13(2)12-19/h7-8,11,13H,4-6,9-10,12H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyNAGGMOSJOMXZFY-ZDUSSCGKSA-N
MW354.47 g/mol
LogP2.26
Rot. Bonds6

About 2-methoxy-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-propylbenzamide

2-methoxy-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-propylbenzamide (PubChem CID 27260668) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 2-methoxy-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-propylbenzamide.

Molecular Properties

Compound Name2-methoxy-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-propylbenzamide
PubChem CID27260668
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name2-methoxy-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-propylbenzamide
SMILESCCCNC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)ccc1OC
InChIInChI=1S/C17H26N2O4S/c1-4-9-18-17(20)15-11-14(7-8-16(15)23-3)24(21,22)19-10-5-6-13(2)12-19/h7-8,11,13H,4-6,9-10,12H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyNAGGMOSJOMXZFY-ZDUSSCGKSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 27244612
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoro-5-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 15992744
5-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-methoxybenzamide
CID 18108936
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 51525680
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55407925
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-piperidin-1-ylsulfonylbenzamide
CID 42589509
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 119430959
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119430958
N-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590964
N-cycloheptyl-2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591241
5-[(3S)-3-hydroxypiperidin-1-yl]sulfonyl-2-methoxybenzoic acid
CID 107216444
2-methoxy-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591213

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-propylbenzamide?
The IUPAC name of 2-methoxy-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-propylbenzamide (CID 27260668) is 2-methoxy-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-propylbenzamide.
What is the SMILES notation for 2-methoxy-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-propylbenzamide?
The canonical SMILES for 2-methoxy-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-propylbenzamide is CCCNC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)ccc1OC.
What is the InChIKey of 2-methoxy-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-propylbenzamide?
The InChIKey is NAGGMOSJOMXZFY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-4-9-18-17(20)15-11-14(7-8-16(15)23-3)24(21,22)19-10-5-6-13(2)12-19/h7-8,11,13H,4-6,9-10,12H2,1-3H3,(H,18,20)/t13-/m0/s1.
What are the key properties of 2-methoxy-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-propylbenzamide?
2-methoxy-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-propylbenzamide has a molecular weight of 354.47 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-propylbenzamide is sourced from PubChem (CID 27260668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).