3,4-diethoxy-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide

C24H34N2O5S — CID 52697516

IUPAC3,4-diethoxy-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2OC)N2CCCCC2)cc1OCC
InChIInChI=1S/C24H34N2O5S/c1-4-30-23-14-13-19(17-24(23)31-5-2)32(27,28)25-18-21(26-15-9-6-10-16-26)20-11-7-8-12-22(20)29-3/h7-8,11-14,17,21,25H,4-6,9-10,15-16,18H2,1-3H3/t21-/m0/s1
InChIKeyLTJLXEUWYLJKIK-NRFANRHFSA-N
MW462.61 g/mol
LogP4.00
Rot. Bonds11

About 3,4-diethoxy-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide

3,4-diethoxy-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide (PubChem CID 52697516) has the molecular formula C24H34N2O5S and a molecular weight of 462.61 g/mol. Its IUPAC name is 3,4-diethoxy-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide
PubChem CID52697516
Molecular FormulaC24H34N2O5S
Molecular Weight462.61 g/mol
Exact Mass462.22
IUPAC Name3,4-diethoxy-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2OC)N2CCCCC2)cc1OCC
InChIInChI=1S/C24H34N2O5S/c1-4-30-23-14-13-19(17-24(23)31-5-2)32(27,28)25-18-21(26-15-9-6-10-16-26)20-11-7-8-12-22(20)29-3/h7-8,11-14,17,21,25H,4-6,9-10,15-16,18H2,1-3H3/t21-/m0/s1
InChIKeyLTJLXEUWYLJKIK-NRFANRHFSA-N
XLogP4.00
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.61
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-diethoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 71685286
3,4-diethoxy-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 55386939
4-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 47006062
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methyl-3-nitrobenzenesulfonamide
CID 60529996
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 55512367
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzenesulfonamide
CID 60529924
5-bromo-2-methoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 134017257
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 24819717
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide
CID 47006058
3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 9186891
3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzenesulfonamide
CID 93157622
4-fluoro-N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 112504148

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide?
The IUPAC name of 3,4-diethoxy-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide (CID 52697516) is 3,4-diethoxy-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-diethoxy-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide?
The canonical SMILES for 3,4-diethoxy-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2OC)N2CCCCC2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide?
The InChIKey is LTJLXEUWYLJKIK-NRFANRHFSA-N. The full InChI is InChI=1S/C24H34N2O5S/c1-4-30-23-14-13-19(17-24(23)31-5-2)32(27,28)25-18-21(26-15-9-6-10-16-26)20-11-7-8-12-22(20)29-3/h7-8,11-14,17,21,25H,4-6,9-10,15-16,18H2,1-3H3/t21-/m0/s1.
What are the key properties of 3,4-diethoxy-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide?
3,4-diethoxy-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide has a molecular weight of 462.61 g/mol, XLogP of 4.00, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide is sourced from PubChem (CID 52697516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).