4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide

C17H24N2O4S — CID 9442145

IUPAC4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC[C@H]2C)c1
InChIInChI=1S/C17H24N2O4S/c1-4-10-18-17(20)14-8-9-15(23-3)16(12-14)24(21,22)19-11-6-5-7-13(19)2/h4,8-9,12-13H,1,5-7,10-11H2,2-3H3,(H,18,20)/t13-/m1/s1
InChIKeyWWMVGZMGLHMZSZ-CYBMUJFWSA-N
MW352.46 g/mol
LogP2.17
Rot. Bonds6

About 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide

4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide (PubChem CID 9442145) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
PubChem CID9442145
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC[C@H]2C)c1
InChIInChI=1S/C17H24N2O4S/c1-4-10-18-17(20)14-8-9-15(23-3)16(12-14)24(21,22)19-11-6-5-7-13(19)2/h4,8-9,12-13H,1,5-7,10-11H2,2-3H3,(H,18,20)/t13-/m1/s1
InChIKeyWWMVGZMGLHMZSZ-CYBMUJFWSA-N
XLogP2.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43050283
N-(4-acetamidophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 41101385
N-[(2,4-dimethylphenyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46590934
N-(4-chlorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 4794100
N-[(3-chlorophenyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55345724
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442263
4-methoxy-N-[3-(N-methylanilino)propyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 51672183
N-(3,5-dimethoxyphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46651292
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-prop-2-enylbenzamide
CID 51157554
4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 11932592
N-(2-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8839347
N'-[4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]furan-2-carbohydrazide
CID 9476438

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide?
The IUPAC name of 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide (CID 9442145) is 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide?
The canonical SMILES for 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC[C@H]2C)c1.
What is the InChIKey of 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide?
The InChIKey is WWMVGZMGLHMZSZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-4-10-18-17(20)14-8-9-15(23-3)16(12-14)24(21,22)19-11-6-5-7-13(19)2/h4,8-9,12-13H,1,5-7,10-11H2,2-3H3,(H,18,20)/t13-/m1/s1.
What are the key properties of 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide?
4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide has a molecular weight of 352.46 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 9442145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).