4-methoxy-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]-3-(propylsulfamoyl)benzamide

C23H28N4O5S — CID 100795553

IUPAC4-methoxy-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]-3-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)ccc1OC
InChIInChI=1S/C23H28N4O5S/c1-5-12-24-33(29,30)20-14-17(8-11-19(20)31-4)22(28)25-18-9-6-16(7-10-18)13-21-26-23(15(2)3)32-27-21/h6-11,14-15,24H,5,12-13H2,1-4H3,(H,25,28)
InChIKeyGBNQQIJPQLFQRR-UHFFFAOYSA-N
MW472.57 g/mol
LogP3.73
Rot. Bonds10

About 4-methoxy-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]-3-(propylsulfamoyl)benzamide

4-methoxy-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]-3-(propylsulfamoyl)benzamide (PubChem CID 100795553) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is 4-methoxy-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]-3-(propylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]-3-(propylsulfamoyl)benzamide
PubChem CID100795553
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC Name4-methoxy-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]-3-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)ccc1OC
InChIInChI=1S/C23H28N4O5S/c1-5-12-24-33(29,30)20-14-17(8-11-19(20)31-4)22(28)25-18-9-6-16(7-10-18)13-21-26-23(15(2)3)32-27-21/h6-11,14-15,24H,5,12-13H2,1-4H3,(H,25,28)
InChIKeyGBNQQIJPQLFQRR-UHFFFAOYSA-N
XLogP3.73
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]-3-(propylsulfamoyl)benzamide with MolForge

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Related Compounds

3-(azepan-1-ylsulfonyl)-4-methoxy-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]benzamide
CID 100795581
4-methoxy-3-morpholin-4-ylsulfonyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]benzamide
CID 100795486
N-(4-ethoxyphenyl)-4-methoxy-3-(propylsulfamoyl)benzamide
CID 18892408
N-(3,5-dichlorophenyl)-4-methoxy-3-(propylsulfamoyl)benzamide
CID 18892393
4-methoxy-N-(3-methoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 18892405
4-methoxy-N-(2-methoxy-5-methylphenyl)-3-(propylsulfamoyl)benzamide
CID 18892416
N-(3-chlorophenyl)-4-methoxy-3-(propylsulfamoyl)benzamide
CID 18892378
methyl 5-[[4-methoxy-3-(propylsulfamoyl)benzoyl]amino]-1-benzothiophene-2-carboxylate
CID 28557856
N-(4-butylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373539
N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-(propylsulfamoyl)benzamide
CID 28557870
4-methoxy-N-(1-methoxypropan-2-yl)-3-(propylsulfamoyl)benzamide
CID 17017988
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
CID 100797081

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]-3-(propylsulfamoyl)benzamide?
The IUPAC name of 4-methoxy-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]-3-(propylsulfamoyl)benzamide (CID 100795553) is 4-methoxy-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]-3-(propylsulfamoyl)benzamide.
What is the SMILES notation for 4-methoxy-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]-3-(propylsulfamoyl)benzamide?
The canonical SMILES for 4-methoxy-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]-3-(propylsulfamoyl)benzamide is CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)ccc1OC.
What is the InChIKey of 4-methoxy-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]-3-(propylsulfamoyl)benzamide?
The InChIKey is GBNQQIJPQLFQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5S/c1-5-12-24-33(29,30)20-14-17(8-11-19(20)31-4)22(28)25-18-9-6-16(7-10-18)13-21-26-23(15(2)3)32-27-21/h6-11,14-15,24H,5,12-13H2,1-4H3,(H,25,28).
What are the key properties of 4-methoxy-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]-3-(propylsulfamoyl)benzamide?
4-methoxy-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]-3-(propylsulfamoyl)benzamide has a molecular weight of 472.57 g/mol, XLogP of 3.73, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]-3-(propylsulfamoyl)benzamide is sourced from PubChem (CID 100795553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).