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

4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride
CID 98622583
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
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N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
4-[2-(methanesulfonamido)ethyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27021904
N-(4-acetamidophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 22109501
N-[2-[4-(2-chloroacetyl)phenyl]ethyl]methanesulfonamide
CID 7131893
4-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62167130
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
4-[2-(methanesulfonamido)ethyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 27017885
N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-4-methylbenzamide
CID 82097442
N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methylbenzamide
CID 119048599
4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide
CID 2671565

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).