N-(2-ethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide

C23H30N2O4S — CID 1337138

IUPACN-(2-ethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCCOc1ccccc1N(CC(=O)N1CCC(C)CC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H30N2O4S/c1-4-29-22-8-6-5-7-21(22)25(17-23(26)24-15-13-19(3)14-16-24)30(27,28)20-11-9-18(2)10-12-20/h5-12,19H,4,13-17H2,1-3H3
InChIKeyFEIRMYBHAUZCIB-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.85
Rot. Bonds7

About N-(2-ethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide

N-(2-ethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 1337138) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID1337138
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-(2-ethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCCOc1ccccc1N(CC(=O)N1CCC(C)CC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H30N2O4S/c1-4-29-22-8-6-5-7-21(22)25(17-23(26)24-15-13-19(3)14-16-24)30(27,28)20-11-9-18(2)10-12-20/h5-12,19H,4,13-17H2,1-3H3
InChIKeyFEIRMYBHAUZCIB-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide (CID 1337138) is N-(2-ethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide is CCOc1ccccc1N(CC(=O)N1CCC(C)CC1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is FEIRMYBHAUZCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-4-29-22-8-6-5-7-21(22)25(17-23(26)24-15-13-19(3)14-16-24)30(27,28)20-11-9-18(2)10-12-20/h5-12,19H,4,13-17H2,1-3H3.
What are the key properties of N-(2-ethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
N-(2-ethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 430.57 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 1337138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).