3-(methanesulfonamido)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide

C22H29N3O4S — CID 55950743

IUPAC3-(methanesulfonamido)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
SMILESCOc1ccccc1C(CNC(=O)c1cccc(NS(C)(=O)=O)c1)N1CCCCC1
InChIInChI=1S/C22H29N3O4S/c1-29-21-12-5-4-11-19(21)20(25-13-6-3-7-14-25)16-23-22(26)17-9-8-10-18(15-17)24-30(2,27)28/h4-5,8-12,15,20,24H,3,6-7,13-14,16H2,1-2H3,(H,23,26)
InChIKeyIWUTULVZKPNNAS-UHFFFAOYSA-N
MW431.56 g/mol
LogP3.02
Rot. Bonds8

About 3-(methanesulfonamido)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide

3-(methanesulfonamido)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide (PubChem CID 55950743) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
PubChem CID55950743
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name3-(methanesulfonamido)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
SMILESCOc1ccccc1C(CNC(=O)c1cccc(NS(C)(=O)=O)c1)N1CCCCC1
InChIInChI=1S/C22H29N3O4S/c1-29-21-12-5-4-11-19(21)20(25-13-6-3-7-14-25)16-23-22(26)17-9-8-10-18(15-17)24-30(2,27)28/h4-5,8-12,15,20,24H,3,6-7,13-14,16H2,1-2H3,(H,23,26)
InChIKeyIWUTULVZKPNNAS-UHFFFAOYSA-N
XLogP3.02
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 43006287
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
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 25335377
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 60533969
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
4-(difluoromethylsulfonyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 60533875
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 43044899
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41187538
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide
CID 55950107
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)benzamide
CID 2472228
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 55523206

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide?
The IUPAC name of 3-(methanesulfonamido)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide (CID 55950743) is 3-(methanesulfonamido)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide is COc1ccccc1C(CNC(=O)c1cccc(NS(C)(=O)=O)c1)N1CCCCC1.
What is the InChIKey of 3-(methanesulfonamido)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide?
The InChIKey is IWUTULVZKPNNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-29-21-12-5-4-11-19(21)20(25-13-6-3-7-14-25)16-23-22(26)17-9-8-10-18(15-17)24-30(2,27)28/h4-5,8-12,15,20,24H,3,6-7,13-14,16H2,1-2H3,(H,23,26).
What are the key properties of 3-(methanesulfonamido)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide?
3-(methanesulfonamido)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide has a molecular weight of 431.56 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide is sourced from PubChem (CID 55950743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).