N-[(2-ethoxyphenyl)methyl]-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

C23H30N2O4S — CID 55958037

IUPACN-[(2-ethoxyphenyl)methyl]-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCOc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)N2CCCCC2C)c1
InChIInChI=1S/C23H30N2O4S/c1-4-29-22-14-6-5-11-20(22)17-24(3)23(26)19-12-9-13-21(16-19)30(27,28)25-15-8-7-10-18(25)2/h5-6,9,11-14,16,18H,4,7-8,10,15,17H2,1-3H3
InChIKeyAHADUOHMTZRZCX-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.92
Rot. Bonds7

About N-[(2-ethoxyphenyl)methyl]-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-[(2-ethoxyphenyl)methyl]-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 55958037) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID55958037
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-[(2-ethoxyphenyl)methyl]-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCOc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)N2CCCCC2C)c1
InChIInChI=1S/C23H30N2O4S/c1-4-29-22-14-6-5-11-20(22)17-24(3)23(26)19-12-9-13-21(16-19)30(27,28)25-15-8-7-10-18(25)2/h5-6,9,11-14,16,18H,4,7-8,10,15,17H2,1-3H3
InChIKeyAHADUOHMTZRZCX-UHFFFAOYSA-N
XLogP3.92
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 11932722
N-[(2-ethoxy-4-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55707761
N-[(2-ethoxyphenyl)methyl]-3-iodo-N-methylbenzamide
CID 61026834
N-(2,3-dimethylphenyl)-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55918100
N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46654602
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 134010192
N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55960356
N'-methyl-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N'-phenylbenzohydrazide
CID 9479993
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7829674
[2-oxo-2-(propylamino)ethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7829690
N-[(2-ethoxyphenyl)methyl]-N-methyl-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 55861020
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7829699

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 55958037) is N-[(2-ethoxyphenyl)methyl]-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is CCOc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)N2CCCCC2C)c1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is AHADUOHMTZRZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-4-29-22-14-6-5-11-20(22)17-24(3)23(26)19-12-9-13-21(16-19)30(27,28)25-15-8-7-10-18(25)2/h5-6,9,11-14,16,18H,4,7-8,10,15,17H2,1-3H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-[(2-ethoxyphenyl)methyl]-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 430.57 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55958037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).