4-[2-(methanesulfonamido)ethyl]-N-[(4-methylphenyl)methyl]benzamide

C18H22N2O3S — CID 167811683

IUPAC4-[2-(methanesulfonamido)ethyl]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-14-3-5-16(6-4-14)13-19-18(21)17-9-7-15(8-10-17)11-12-20-24(2,22)23/h3-10,20H,11-13H2,1-2H3,(H,19,21)
InChIKeyONZMDMAMCPYQNS-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.02
Rot. Bonds7

About 4-[2-(methanesulfonamido)ethyl]-N-[(4-methylphenyl)methyl]benzamide

4-[2-(methanesulfonamido)ethyl]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 167811683) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-[2-(methanesulfonamido)ethyl]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[2-(methanesulfonamido)ethyl]-N-[(4-methylphenyl)methyl]benzamide
PubChem CID167811683
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-[2-(methanesulfonamido)ethyl]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-14-3-5-16(6-4-14)13-19-18(21)17-9-7-15(8-10-17)11-12-20-24(2,22)23/h3-10,20H,11-13H2,1-2H3,(H,19,21)
InChIKeyONZMDMAMCPYQNS-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

AR-M1000390
CID 9841259
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CID 809338
N-benzyl-4-sulfamoylbenzamide
CID 4347
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
4-Tert-butyl-N-(2-phenylethyl)benzamide
CID 809340
N-[3-(benzoylamino)propyl]benzamide
CID 255782
N-benzyl-4-oxo-4-phenylbutanamide
CID 347385
3-methyl-N-(2-phenylethyl)benzamide
CID 723531
N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide
CID 2211217
N,N'-1,2-Ethanediylbisbenzamide
CID 69518
N-Phenethylbenzamide
CID 95083

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methanesulfonamido)ethyl]-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 4-[2-(methanesulfonamido)ethyl]-N-[(4-methylphenyl)methyl]benzamide (CID 167811683) is 4-[2-(methanesulfonamido)ethyl]-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[2-(methanesulfonamido)ethyl]-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-[2-(methanesulfonamido)ethyl]-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[2-(methanesulfonamido)ethyl]-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is ONZMDMAMCPYQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14-3-5-16(6-4-14)13-19-18(21)17-9-7-15(8-10-17)11-12-20-24(2,22)23/h3-10,20H,11-13H2,1-2H3,(H,19,21).
What are the key properties of 4-[2-(methanesulfonamido)ethyl]-N-[(4-methylphenyl)methyl]benzamide?
4-[2-(methanesulfonamido)ethyl]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 346.45 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methanesulfonamido)ethyl]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 167811683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).