N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-chloro-2-ethoxy-N-methylbenzenesulfonamide

C23H29ClN2O4S — CID 30168093

IUPACN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-chloro-2-ethoxy-N-methylbenzenesulfonamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H29ClN2O4S/c1-3-30-21-10-9-20(24)16-22(21)31(28,29)25(2)17-23(27)26-13-11-19(12-14-26)15-18-7-5-4-6-8-18/h4-10,16,19H,3,11-15,17H2,1-2H3
InChIKeyBCPVNFIGXFJLLJ-UHFFFAOYSA-N
MW465.02 g/mol
LogP3.84
Rot. Bonds8

About N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-chloro-2-ethoxy-N-methylbenzenesulfonamide

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-chloro-2-ethoxy-N-methylbenzenesulfonamide (PubChem CID 30168093) has the molecular formula C23H29ClN2O4S and a molecular weight of 465.02 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-chloro-2-ethoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-chloro-2-ethoxy-N-methylbenzenesulfonamide
PubChem CID30168093
Molecular FormulaC23H29ClN2O4S
Molecular Weight465.02 g/mol
Exact Mass464.15
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-chloro-2-ethoxy-N-methylbenzenesulfonamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H29ClN2O4S/c1-3-30-21-10-9-20(24)16-22(21)31(28,29)25(2)17-23(27)26-13-11-19(12-14-26)15-18-7-5-4-6-8-18/h4-10,16,19H,3,11-15,17H2,1-2H3
InChIKeyBCPVNFIGXFJLLJ-UHFFFAOYSA-N
XLogP3.84
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.02
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 51343685
5-chloro-2-methoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 6493711
2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 30167981
1-(4-benzylpiperidin-1-yl)-4-(2,4-dichlorophenoxy)butan-1-one
CID 3428823
[2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-5-chlorophenyl]urea
CID 11675741
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]benzenesulfonamide
CID 2925753
4-benzyl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 1106586
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(3-chloro-4-methoxyphenyl)methanesulfonamide
CID 51342943
2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30168025
2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(2-hydroxyethyl)acetamide
CID 30167910
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-chloro-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 126394267
1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone
CID 23294466

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-chloro-2-ethoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-chloro-2-ethoxy-N-methylbenzenesulfonamide (CID 30168093) is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-chloro-2-ethoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-chloro-2-ethoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-chloro-2-ethoxy-N-methylbenzenesulfonamide is CCOc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-chloro-2-ethoxy-N-methylbenzenesulfonamide?
The InChIKey is BCPVNFIGXFJLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O4S/c1-3-30-21-10-9-20(24)16-22(21)31(28,29)25(2)17-23(27)26-13-11-19(12-14-26)15-18-7-5-4-6-8-18/h4-10,16,19H,3,11-15,17H2,1-2H3.
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-chloro-2-ethoxy-N-methylbenzenesulfonamide?
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-chloro-2-ethoxy-N-methylbenzenesulfonamide has a molecular weight of 465.02 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-chloro-2-ethoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 30168093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).