N-cyclohexyl-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

C22H34N2O4S — CID 24632509

IUPACN-cyclohexyl-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCC2C)c1)C1CCCCC1
InChIInChI=1S/C22H34N2O4S/c1-4-23(19-11-6-5-7-12-19)22(25)18-13-14-20(28-3)21(16-18)29(26,27)24-15-9-8-10-17(24)2/h13-14,16-17,19H,4-12,15H2,1-3H3
InChIKeyVOPNTVPRYQGJHP-UHFFFAOYSA-N
MW422.59 g/mol
LogP4.05
Rot. Bonds6

About N-cyclohexyl-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-cyclohexyl-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 24632509) has the molecular formula C22H34N2O4S and a molecular weight of 422.59 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID24632509
Molecular FormulaC22H34N2O4S
Molecular Weight422.59 g/mol
Exact Mass422.22
IUPAC NameN-cyclohexyl-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCC2C)c1)C1CCCCC1
InChIInChI=1S/C22H34N2O4S/c1-4-23(19-11-6-5-7-12-19)22(25)18-13-14-20(28-3)21(16-18)29(26,27)24-15-9-8-10-17(24)2/h13-14,16-17,19H,4-12,15H2,1-3H3
InChIKeyVOPNTVPRYQGJHP-UHFFFAOYSA-N
XLogP4.05
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.59
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-ethyl-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18156104
N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43050283
N-[(3-chlorophenyl)methyl]-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55594421
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
(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
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
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 29253390
N-(4-acetamidophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 41101385

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-cyclohexyl-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 24632509) is N-cyclohexyl-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCC2C)c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is VOPNTVPRYQGJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4S/c1-4-23(19-11-6-5-7-12-19)22(25)18-13-14-20(28-3)21(16-18)29(26,27)24-15-9-8-10-17(24)2/h13-14,16-17,19H,4-12,15H2,1-3H3.
What are the key properties of N-cyclohexyl-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-cyclohexyl-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 422.59 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 24632509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).