N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

C23H30N2O4S — CID 134010192

IUPACN-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCOc1ccc(C(C)NC(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)cc1
InChIInChI=1S/C23H30N2O4S/c1-4-29-21-13-11-19(12-14-21)18(3)24-23(26)20-9-7-10-22(16-20)30(27,28)25-15-6-5-8-17(25)2/h7,9-14,16-18H,4-6,8,15H2,1-3H3,(H,24,26)
InChIKeyUNXURZUPDGIGQE-UHFFFAOYSA-N
MW430.57 g/mol
LogP4.14
Rot. Bonds7

About N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 134010192) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID134010192
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCOc1ccc(C(C)NC(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)cc1
InChIInChI=1S/C23H30N2O4S/c1-4-29-21-13-11-19(12-14-21)18(3)24-23(26)20-9-7-10-22(16-20)30(27,28)25-15-6-5-8-17(25)2/h7,9-14,16-18H,4-6,8,15H2,1-3H3,(H,24,26)
InChIKeyUNXURZUPDGIGQE-UHFFFAOYSA-N
XLogP4.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55901608
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 11932722
N-(1-aminohexan-2-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119667944
4-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 55693288
N-[1-(4-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 53285830
(2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine
CID 847002
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
N-[(2-ethoxy-4-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55707761
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 11917267
3-(azepan-1-ylsulfonyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 53285817
[(1S)-1-cyanoethyl] 3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7829715
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442263

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 134010192) is N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is CCOc1ccc(C(C)NC(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is UNXURZUPDGIGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-4-29-21-13-11-19(12-14-21)18(3)24-23(26)20-9-7-10-22(16-20)30(27,28)25-15-6-5-8-17(25)2/h7,9-14,16-18H,4-6,8,15H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 430.57 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 134010192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).