N-[(6-methoxynaphthalen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide

C24H26N2O5S — CID 24646084

IUPACN-[(6-methoxynaphthalen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCOc1ccc2cc(CNC(=O)c3cccc(S(=O)(=O)NCC4CCCO4)c3)ccc2c1
InChIInChI=1S/C24H26N2O5S/c1-30-21-10-9-18-12-17(7-8-19(18)13-21)15-25-24(27)20-4-2-6-23(14-20)32(28,29)26-16-22-5-3-11-31-22/h2,4,6-10,12-14,22,26H,3,5,11,15-16H2,1H3,(H,25,27)
InChIKeyNIKFOSOSHVBOOK-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.24
Rot. Bonds8

About N-[(6-methoxynaphthalen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide

N-[(6-methoxynaphthalen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 24646084) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[(6-methoxynaphthalen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(6-methoxynaphthalen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID24646084
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC NameN-[(6-methoxynaphthalen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCOc1ccc2cc(CNC(=O)c3cccc(S(=O)(=O)NCC4CCCO4)c3)ccc2c1
InChIInChI=1S/C24H26N2O5S/c1-30-21-10-9-18-12-17(7-8-19(18)13-21)15-25-24(27)20-4-2-6-23(14-20)32(28,29)26-16-22-5-3-11-31-22/h2,4,6-10,12-14,22,26H,3,5,11,15-16H2,1H3,(H,25,27)
InChIKeyNIKFOSOSHVBOOK-UHFFFAOYSA-N
XLogP3.24
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24538290
N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 74632236
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
N-[(4-acetamidophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 18207149
N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43001593
4-chloro-N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46514436
4-chloro-N-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46799138
N-[(6-methoxynaphthalen-2-yl)methyl]-3-methylsulfonylbenzamide
CID 51317141
N-[(2,4-dimethylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 75871785
N-[(4-bromothiophen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55867907
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 24646084) is N-[(6-methoxynaphthalen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(6-methoxynaphthalen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[(6-methoxynaphthalen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is COc1ccc2cc(CNC(=O)c3cccc(S(=O)(=O)NCC4CCCO4)c3)ccc2c1.
What is the InChIKey of N-[(6-methoxynaphthalen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is NIKFOSOSHVBOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-30-21-10-9-18-12-17(7-8-19(18)13-21)15-25-24(27)20-4-2-6-23(14-20)32(28,29)26-16-22-5-3-11-31-22/h2,4,6-10,12-14,22,26H,3,5,11,15-16H2,1H3,(H,25,27).
What are the key properties of N-[(6-methoxynaphthalen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-[(6-methoxynaphthalen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 454.55 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxynaphthalen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 24646084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).