4-(methanesulfonamido)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide

C21H27N3O3S — CID 42121264

IUPAC4-(methanesulfonamido)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1
InChIInChI=1S/C21H27N3O3S/c1-28(26,27)23-20-11-9-17(10-12-20)21(25)22-15-18-7-3-4-8-19(18)16-24-13-5-2-6-14-24/h3-4,7-12,23H,2,5-6,13-16H2,1H3,(H,22,25)
InChIKeyUICMFYOBAHQAMH-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.97
Rot. Bonds7

About 4-(methanesulfonamido)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide

4-(methanesulfonamido)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 42121264) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID42121264
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name4-(methanesulfonamido)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1
InChIInChI=1S/C21H27N3O3S/c1-28(26,27)23-20-11-9-17(10-12-20)21(25)22-15-18-7-3-4-8-19(18)16-24-13-5-2-6-14-24/h3-4,7-12,23H,2,5-6,13-16H2,1H3,(H,22,25)
InChIKeyUICMFYOBAHQAMH-UHFFFAOYSA-N
XLogP2.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylsulfonylmethyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8969533
4-[[4-[(1R)-1-hydroxyethyl]phenyl]sulfonylamino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 40973564
4-propan-2-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9142470
4-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8968920
4-nitro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9142408
4-(ethylsulfanylmethyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 55873848
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-4-pyrazol-1-ylbenzamide
CID 9069207
4-(2-oxopiperidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24516619
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9398987
6-methoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 24532714
4-(methanesulfonamido)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 41479006
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 86935231

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(methanesulfonamido)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide (CID 42121264) is 4-(methanesulfonamido)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(methanesulfonamido)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide is CS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1.
What is the InChIKey of 4-(methanesulfonamido)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is UICMFYOBAHQAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-28(26,27)23-20-11-9-17(10-12-20)21(25)22-15-18-7-3-4-8-19(18)16-24-13-5-2-6-14-24/h3-4,7-12,23H,2,5-6,13-16H2,1H3,(H,22,25).
What are the key properties of 4-(methanesulfonamido)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
4-(methanesulfonamido)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 401.53 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 42121264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).