N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide

C23H28N2O4S — CID 75435845

IUPACN-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCC1CCc2ccccc2C1NC(=O)c1cccc(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C23H28N2O4S/c1-16-11-12-17-6-2-3-10-21(17)22(16)25-23(26)18-7-4-9-20(14-18)30(27,28)24-15-19-8-5-13-29-19/h2-4,6-7,9-10,14,16,19,22,24H,5,8,11-13,15H2,1H3,(H,25,26)
InChIKeyZKHDXGKPRWHBAW-UHFFFAOYSA-N
MW428.55 g/mol
LogP3.20
Rot. Bonds6

About N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide

N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 75435845) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID75435845
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC NameN-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCC1CCc2ccccc2C1NC(=O)c1cccc(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C23H28N2O4S/c1-16-11-12-17-6-2-3-10-21(17)22(16)25-23(26)18-7-4-9-20(14-18)30(27,28)24-15-19-8-5-13-29-19/h2-4,6-7,9-10,14,16,19,22,24H,5,8,11-13,15H2,1H3,(H,25,26)
InChIKeyZKHDXGKPRWHBAW-UHFFFAOYSA-N
XLogP3.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41411759
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903
N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 74632236
N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
N-[3-[benzyl(methyl)amino]propyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43045382
N-(oxolan-2-ylmethyl)-3-[3-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 20967101
N-(9H-fluoren-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46539920
3-[[(2-bromobenzoyl)amino]carbamoyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 46652327
N-[(4-acetamidophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 18207149
ethyl 4-[[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate
CID 42910636

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 75435845) is N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide is CC1CCc2ccccc2C1NC(=O)c1cccc(S(=O)(=O)NCC2CCCO2)c1.
What is the InChIKey of N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is ZKHDXGKPRWHBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-16-11-12-17-6-2-3-10-21(17)22(16)25-23(26)18-7-4-9-20(14-18)30(27,28)24-15-19-8-5-13-29-19/h2-4,6-7,9-10,14,16,19,22,24H,5,8,11-13,15H2,1H3,(H,25,26).
What are the key properties of N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 428.55 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 75435845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).