N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylsulfonylbenzamide

C25H33N3O4S — CID 43006287

IUPACN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccccc1C(CNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCCC1
InChIInChI=1S/C25H33N3O4S/c1-32-24-13-4-3-12-22(24)23(27-14-7-8-15-27)19-26-25(29)20-10-9-11-21(18-20)33(30,31)28-16-5-2-6-17-28/h3-4,9-13,18,23H,2,5-8,14-17,19H2,1H3,(H,26,29)
InChIKeyDODFUZPZKIXGDC-UHFFFAOYSA-N
MW471.62 g/mol
LogP3.44
Rot. Bonds8

About N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylsulfonylbenzamide

N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 43006287) has the molecular formula C25H33N3O4S and a molecular weight of 471.62 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID43006287
Molecular FormulaC25H33N3O4S
Molecular Weight471.62 g/mol
Exact Mass471.22
IUPAC NameN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccccc1C(CNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCCC1
InChIInChI=1S/C25H33N3O4S/c1-32-24-13-4-3-12-22(24)23(27-14-7-8-15-27)19-26-25(29)20-10-9-11-21(18-20)33(30,31)28-16-5-2-6-17-28/h3-4,9-13,18,23H,2,5-8,14-17,19H2,1H3,(H,26,29)
InChIKeyDODFUZPZKIXGDC-UHFFFAOYSA-N
XLogP3.44
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.62
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41187538
3-(azepan-1-ylsulfonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 25350857
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 25335377
3-(methanesulfonamido)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 55950743
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006303
3-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 46422201
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 60533969
N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7719095
N-[2-(2-methoxyphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 43009482
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
2-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-morpholin-4-ylsulfonylbenzamide
CID 42906861
N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17012011

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylsulfonylbenzamide (CID 43006287) is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylsulfonylbenzamide is COc1ccccc1C(CNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCCC1.
What is the InChIKey of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is DODFUZPZKIXGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4S/c1-32-24-13-4-3-12-22(24)23(27-14-7-8-15-27)19-26-25(29)20-10-9-11-21(18-20)33(30,31)28-16-5-2-6-17-28/h3-4,9-13,18,23H,2,5-8,14-17,19H2,1H3,(H,26,29).
What are the key properties of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylsulfonylbenzamide?
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 471.62 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 43006287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).