N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide

C16H25N3O3S — CID 119704023

IUPACN-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ccccc1NS(C)(=O)=O)C1CCCNC1
InChIInChI=1S/C16H25N3O3S/c1-12(13-6-5-9-17-11-13)10-16(20)18-14-7-3-4-8-15(14)19-23(2,21)22/h3-4,7-8,12-13,17,19H,5-6,9-11H2,1-2H3,(H,18,20)
InChIKeyFAOVZQVKWBPHKW-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.02
Rot. Bonds6

About N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide

N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide (PubChem CID 119704023) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
PubChem CID119704023
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ccccc1NS(C)(=O)=O)C1CCCNC1
InChIInChI=1S/C16H25N3O3S/c1-12(13-6-5-9-17-11-13)10-16(20)18-14-7-3-4-8-15(14)19-23(2,21)22/h3-4,7-8,12-13,17,19H,5-6,9-11H2,1-2H3,(H,18,20)
InChIKeyFAOVZQVKWBPHKW-UHFFFAOYSA-N
XLogP2.02
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704022
N-[3-(methanesulfonamido)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119711254
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119702961
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
N-(2-methyl-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81043884
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-3-piperidin-3-ylbutanamide
CID 119798926
N-(2-nitrophenyl)-3-piperidin-3-ylbutanamide
CID 81048657
N-[2-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714831
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-piperidin-3-ylbutanamide
CID 119691926

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide (CID 119704023) is N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)Nc1ccccc1NS(C)(=O)=O)C1CCCNC1.
What is the InChIKey of N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide?
The InChIKey is FAOVZQVKWBPHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12(13-6-5-9-17-11-13)10-16(20)18-14-7-3-4-8-15(14)19-23(2,21)22/h3-4,7-8,12-13,17,19H,5-6,9-11H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide?
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide has a molecular weight of 339.46 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119704023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).