N-[4-(diethylsulfamoyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide

C25H31N3O4S — CID 27652175

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(C)Cc2ccc3cc(OC)ccc3c2)cc1
InChIInChI=1S/C25H31N3O4S/c1-5-28(6-2)33(30,31)24-13-10-22(11-14-24)26-25(29)18-27(3)17-19-7-8-21-16-23(32-4)12-9-20(21)15-19/h7-16H,5-6,17-18H2,1-4H3,(H,26,29)
InChIKeyRHLLGPZDIUDUGV-UHFFFAOYSA-N
MW469.61 g/mol
LogP3.95
Rot. Bonds10

About N-[4-(diethylsulfamoyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide

N-[4-(diethylsulfamoyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide (PubChem CID 27652175) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
PubChem CID27652175
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(C)Cc2ccc3cc(OC)ccc3c2)cc1
InChIInChI=1S/C25H31N3O4S/c1-5-28(6-2)33(30,31)24-13-10-22(11-14-24)26-25(29)18-27(3)17-19-7-8-21-16-23(32-4)12-9-20(21)15-19/h7-16H,5-6,17-18H2,1-4H3,(H,26,29)
InChIKeyRHLLGPZDIUDUGV-UHFFFAOYSA-N
XLogP3.95
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9053961
N-[4-(cyanomethyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9054311
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-sulfamoylphenyl)acetamide
CID 27652228
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
N-[4-(diethylsulfamoyl)phenyl]-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide
CID 126348365
2-chloro-5-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 26883565
N-(4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126070178
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 126012291
2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2459457
N-(3,4-dichlorophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 3994526
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 27652183
3-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 27793329

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide (CID 27652175) is N-[4-(diethylsulfamoyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(C)Cc2ccc3cc(OC)ccc3c2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide?
The InChIKey is RHLLGPZDIUDUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-5-28(6-2)33(30,31)24-13-10-22(11-14-24)26-25(29)18-27(3)17-19-7-8-21-16-23(32-4)12-9-20(21)15-19/h7-16H,5-6,17-18H2,1-4H3,(H,26,29).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide?
N-[4-(diethylsulfamoyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide has a molecular weight of 469.61 g/mol, XLogP of 3.95, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 27652175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).