N-(2-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide

C22H28N2O4S — CID 8839347

IUPACN-(2-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
SMILESCCc1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC[C@@H]2C)c1
InChIInChI=1S/C22H28N2O4S/c1-4-17-10-5-6-11-19(17)23-22(25)18-12-13-20(28-3)21(15-18)29(26,27)24-14-8-7-9-16(24)2/h5-6,10-13,15-16H,4,7-9,14H2,1-3H3,(H,23,25)/t16-/m0/s1
InChIKeyXIQWKIGSDTUPEL-INIZCTEOSA-N
MW416.54 g/mol
LogP4.07
Rot. Bonds6

About N-(2-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide

N-(2-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide (PubChem CID 8839347) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
PubChem CID8839347
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-(2-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
SMILESCCc1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC[C@@H]2C)c1
InChIInChI=1S/C22H28N2O4S/c1-4-17-10-5-6-11-19(17)23-22(25)18-12-13-20(28-3)21(15-18)29(26,27)24-14-8-7-9-16(24)2/h5-6,10-13,15-16H,4,7-9,14H2,1-3H3,(H,23,25)/t16-/m0/s1
InChIKeyXIQWKIGSDTUPEL-INIZCTEOSA-N
XLogP4.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 4799810
4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 46696547
N-(4-acetamidophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 41101385
4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-quinolin-8-ylbenzamide
CID 41029646
N-(3,5-dimethoxyphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46651292
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
N-(2-chloro-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43009763
4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 11932592
4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442145
N-(3-acetamido-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 24656097
N-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 999491

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The IUPAC name of N-(2-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide (CID 8839347) is N-(2-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-(2-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide is CCc1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC[C@@H]2C)c1.
What is the InChIKey of N-(2-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The InChIKey is XIQWKIGSDTUPEL-INIZCTEOSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-4-17-10-5-6-11-19(17)23-22(25)18-12-13-20(28-3)21(15-18)29(26,27)24-14-8-7-9-16(24)2/h5-6,10-13,15-16H,4,7-9,14H2,1-3H3,(H,23,25)/t16-/m0/s1.
What are the key properties of N-(2-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide?
N-(2-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide has a molecular weight of 416.54 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 8839347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).