4-(methanesulfonamido)-N-(2-phenylbutyl)benzamide

C18H22N2O3S — CID 46510116

IUPAC4-(methanesulfonamido)-N-(2-phenylbutyl)benzamide
SMILESCCC(CNC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-3-14(15-7-5-4-6-8-15)13-19-18(21)16-9-11-17(12-10-16)20-24(2,22)23/h4-12,14,20H,3,13H2,1-2H3,(H,19,21)
InChIKeyLZYUWFSQERUWSJ-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.98
Rot. Bonds7

About 4-(methanesulfonamido)-N-(2-phenylbutyl)benzamide

4-(methanesulfonamido)-N-(2-phenylbutyl)benzamide (PubChem CID 46510116) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-(2-phenylbutyl)benzamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-(2-phenylbutyl)benzamide
PubChem CID46510116
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-(methanesulfonamido)-N-(2-phenylbutyl)benzamide
SMILESCCC(CNC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-3-14(15-7-5-4-6-8-15)13-19-18(21)16-9-11-17(12-10-16)20-24(2,22)23/h4-12,14,20H,3,13H2,1-2H3,(H,19,21)
InChIKeyLZYUWFSQERUWSJ-UHFFFAOYSA-N
XLogP2.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylsulfonylmethyl)-N-(2-phenylbutyl)benzamide
CID 51190386
4-methyl-N-(2-phenylbutyl)benzamide
CID 52988708
4-(diethylsulfamoyl)-N-(2-phenylbutyl)benzamide
CID 43016057
4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylbutyl)benzamide
CID 55438238
4-ethoxy-N-(2-phenylbutyl)benzamide
CID 17462842
4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride
CID 119271718
4-(ethylsulfonylamino)-N-(2-phenylpropyl)benzamide
CID 133163901
4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide
CID 35625599
1-oxido-N-(2-phenylbutyl)pyridin-1-ium-4-carboxamide
CID 47110917
3,4-difluoro-N-(2-phenylbutyl)benzamide
CID 43016062
N-(2-amino-2-phenylethyl)-4-(propylsulfonylamino)benzamide;hydrochloride
CID 119528189
4-(1,3-dithiolan-2-yl)-N-[(2R)-2-phenylbutyl]benzamide
CID 26702921

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-(2-phenylbutyl)benzamide?
The IUPAC name of 4-(methanesulfonamido)-N-(2-phenylbutyl)benzamide (CID 46510116) is 4-(methanesulfonamido)-N-(2-phenylbutyl)benzamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-(2-phenylbutyl)benzamide?
The canonical SMILES for 4-(methanesulfonamido)-N-(2-phenylbutyl)benzamide is CCC(CNC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of 4-(methanesulfonamido)-N-(2-phenylbutyl)benzamide?
The InChIKey is LZYUWFSQERUWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-3-14(15-7-5-4-6-8-15)13-19-18(21)16-9-11-17(12-10-16)20-24(2,22)23/h4-12,14,20H,3,13H2,1-2H3,(H,19,21).
What are the key properties of 4-(methanesulfonamido)-N-(2-phenylbutyl)benzamide?
4-(methanesulfonamido)-N-(2-phenylbutyl)benzamide has a molecular weight of 346.45 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-(2-phenylbutyl)benzamide is sourced from PubChem (CID 46510116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).