N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methoxynaphthalene-2-carboxamide

C22H20N4O5S — CID 43977601

IUPACN-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1nnc(-c2ccc(S(=O)(=O)N(C)C)cc2)o1
InChIInChI=1S/C22H20N4O5S/c1-26(2)32(28,29)17-10-8-14(9-11-17)21-24-25-22(31-21)23-20(27)18-12-15-6-4-5-7-16(15)13-19(18)30-3/h4-13H,1-3H3,(H,23,25,27)
InChIKeySNWYLHFIHQCGHW-UHFFFAOYSA-N
MW452.49 g/mol
LogP3.40
Rot. Bonds6

About N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methoxynaphthalene-2-carboxamide

N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methoxynaphthalene-2-carboxamide (PubChem CID 43977601) has the molecular formula C22H20N4O5S and a molecular weight of 452.49 g/mol. Its IUPAC name is N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methoxynaphthalene-2-carboxamide
PubChem CID43977601
Molecular FormulaC22H20N4O5S
Molecular Weight452.49 g/mol
Exact Mass452.12
IUPAC NameN-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1nnc(-c2ccc(S(=O)(=O)N(C)C)cc2)o1
InChIInChI=1S/C22H20N4O5S/c1-26(2)32(28,29)17-10-8-14(9-11-17)21-24-25-22(31-21)23-20(27)18-12-15-6-4-5-7-16(15)13-19(18)30-3/h4-13H,1-3H3,(H,23,25,27)
InChIKeySNWYLHFIHQCGHW-UHFFFAOYSA-N
XLogP3.40
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methoxynaphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
CID 43977695
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2,3-dimethoxybenzamide
CID 43977611
3-methoxy-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43972444
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-oxobenzo[f]chromene-2-carboxamide
CID 43977553
3-methoxy-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)naphthalene-2-carboxamide
CID 3429166
2,4-dichloro-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43977508
3-methoxy-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 90602900
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxynaphthalene-2-carboxamide
CID 43972172
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-4-propan-2-yloxybenzamide
CID 43977589
4-cyano-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43977519
4-(dimethylsulfamoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972303
4-(dimethylsulfamoyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854704

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methoxynaphthalene-2-carboxamide (CID 43977601) is N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)Nc1nnc(-c2ccc(S(=O)(=O)N(C)C)cc2)o1.
What is the InChIKey of N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is SNWYLHFIHQCGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O5S/c1-26(2)32(28,29)17-10-8-14(9-11-17)21-24-25-22(31-21)23-20(27)18-12-15-6-4-5-7-16(15)13-19(18)30-3/h4-13H,1-3H3,(H,23,25,27).
What are the key properties of N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methoxynaphthalene-2-carboxamide?
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 43977601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).