N-[2-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]ethyl]-5-chloro-2-methoxybenzamide

C28H31ClN2O4S — CID 171692060

IUPACN-[2-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]ethyl]-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C28H31ClN2O4S/c1-35-27-12-9-24(29)20-26(27)28(32)30-16-13-21-7-10-25(11-8-21)36(33,34)31-17-14-23(15-18-31)19-22-5-3-2-4-6-22/h2-12,20,23H,13-19H2,1H3,(H,30,32)
InChIKeyLZNVFXLWHVPSBC-UHFFFAOYSA-N
MW527.09 g/mol
LogP4.96
Rot. Bonds9

About N-[2-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]ethyl]-5-chloro-2-methoxybenzamide

N-[2-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]ethyl]-5-chloro-2-methoxybenzamide (PubChem CID 171692060) has the molecular formula C28H31ClN2O4S and a molecular weight of 527.09 g/mol. Its IUPAC name is N-[2-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]ethyl]-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]ethyl]-5-chloro-2-methoxybenzamide
PubChem CID171692060
Molecular FormulaC28H31ClN2O4S
Molecular Weight527.09 g/mol
Exact Mass526.17
IUPAC NameN-[2-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]ethyl]-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C28H31ClN2O4S/c1-35-27-12-9-24(29)20-26(27)28(32)30-16-13-21-7-10-25(11-8-21)36(33,34)31-17-14-23(15-18-31)19-22-5-3-2-4-6-22/h2-12,20,23H,13-19H2,1H3,(H,30,32)
InChIKeyLZNVFXLWHVPSBC-UHFFFAOYSA-N
XLogP4.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.09
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
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4-benzyl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 1106586
4-(4-aminopiperidin-1-yl)sulfonyl-2-fluoro-N-(2-phenylethyl)benzamide
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CID 23453045
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CID 46294811
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CID 10645534
cerium;5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide
CID 88767103
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CID 3082214

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]ethyl]-5-chloro-2-methoxybenzamide?
The IUPAC name of N-[2-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]ethyl]-5-chloro-2-methoxybenzamide (CID 171692060) is N-[2-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]ethyl]-5-chloro-2-methoxybenzamide.
What is the SMILES notation for N-[2-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]ethyl]-5-chloro-2-methoxybenzamide?
The canonical SMILES for N-[2-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]ethyl]-5-chloro-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]ethyl]-5-chloro-2-methoxybenzamide?
The InChIKey is LZNVFXLWHVPSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN2O4S/c1-35-27-12-9-24(29)20-26(27)28(32)30-16-13-21-7-10-25(11-8-21)36(33,34)31-17-14-23(15-18-31)19-22-5-3-2-4-6-22/h2-12,20,23H,13-19H2,1H3,(H,30,32).
What are the key properties of N-[2-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]ethyl]-5-chloro-2-methoxybenzamide?
N-[2-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]ethyl]-5-chloro-2-methoxybenzamide has a molecular weight of 527.09 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]ethyl]-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 171692060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).