N-[(3-chlorophenyl)methyl]-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

C23H29ClN2O4S — CID 55594421

IUPACN-[(3-chlorophenyl)methyl]-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCC2C)c1
InChIInChI=1S/C23H29ClN2O4S/c1-4-25(16-18-9-7-10-20(24)14-18)23(27)19-11-12-21(30-3)22(15-19)31(28,29)26-13-6-5-8-17(26)2/h7,9-12,14-15,17H,4-6,8,13,16H2,1-3H3
InChIKeyCWDUMOSZIXXGDK-UHFFFAOYSA-N
MW465.02 g/mol
LogP4.57
Rot. Bonds7

About N-[(3-chlorophenyl)methyl]-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-[(3-chlorophenyl)methyl]-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 55594421) has the molecular formula C23H29ClN2O4S and a molecular weight of 465.02 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID55594421
Molecular FormulaC23H29ClN2O4S
Molecular Weight465.02 g/mol
Exact Mass464.15
IUPAC NameN-[(3-chlorophenyl)methyl]-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCC2C)c1
InChIInChI=1S/C23H29ClN2O4S/c1-4-25(16-18-9-7-10-20(24)14-18)23(27)19-11-12-21(30-3)22(15-19)31(28,29)26-13-6-5-8-17(26)2/h7,9-12,14-15,17H,4-6,8,13,16H2,1-3H3
InChIKeyCWDUMOSZIXXGDK-UHFFFAOYSA-N
XLogP4.57
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.02
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55345724
N-cyclohexyl-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 24632509
N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43050283
N-(4-chlorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 4794100
(2-methoxyphenyl) 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 8778455
phenyl 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7984818
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55621630
[2-(dimethylamino)-2-oxoethyl] 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7869574
4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442145
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
4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 11932592

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 55594421) is N-[(3-chlorophenyl)methyl]-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCC2C)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is CWDUMOSZIXXGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O4S/c1-4-25(16-18-9-7-10-20(24)14-18)23(27)19-11-12-21(30-3)22(15-19)31(28,29)26-13-6-5-8-17(26)2/h7,9-12,14-15,17H,4-6,8,13,16H2,1-3H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-[(3-chlorophenyl)methyl]-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 465.02 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55594421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).