2-[benzenesulfonyl(methyl)amino]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide

C21H22N2O4S — CID 46422875

IUPAC2-[benzenesulfonyl(methyl)amino]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
SMILESCOc1ccc2cc(CNC(=O)CN(C)S(=O)(=O)c3ccccc3)ccc2c1
InChIInChI=1S/C21H22N2O4S/c1-23(28(25,26)20-6-4-3-5-7-20)15-21(24)22-14-16-8-9-18-13-19(27-2)11-10-17(18)12-16/h3-13H,14-15H2,1-2H3,(H,22,24)
InChIKeyDRHDOPSMDCHSLQ-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.79
Rot. Bonds7

About 2-[benzenesulfonyl(methyl)amino]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide

2-[benzenesulfonyl(methyl)amino]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide (PubChem CID 46422875) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
PubChem CID46422875
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
SMILESCOc1ccc2cc(CNC(=O)CN(C)S(=O)(=O)c3ccccc3)ccc2c1
InChIInChI=1S/C21H22N2O4S/c1-23(28(25,26)20-6-4-3-5-7-20)15-21(24)22-14-16-8-9-18-13-19(27-2)11-10-17(18)12-16/h3-13H,14-15H2,1-2H3,(H,22,24)
InChIKeyDRHDOPSMDCHSLQ-UHFFFAOYSA-N
XLogP2.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzenesulfonyl(ethyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 45372008
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
CID 40624086
N-[(2,6-dimethoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 100794222
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 978493
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(N-methylanilino)ethyl]acetamide
CID 100589399
2-[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 134127150
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 53279043
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 30882836
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918
N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 966803
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1294275
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53280506

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide (CID 46422875) is 2-[benzenesulfonyl(methyl)amino]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide is COc1ccc2cc(CNC(=O)CN(C)S(=O)(=O)c3ccccc3)ccc2c1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide?
The InChIKey is DRHDOPSMDCHSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-23(28(25,26)20-6-4-3-5-7-20)15-21(24)22-14-16-8-9-18-13-19(27-2)11-10-17(18)12-16/h3-13H,14-15H2,1-2H3,(H,22,24).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide?
2-[benzenesulfonyl(methyl)amino]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide has a molecular weight of 398.48 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide is sourced from PubChem (CID 46422875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).