N-[2-(dimethylamino)-5-sulfamoylphenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

C19H21N5O4S — CID 9302637

IUPACN-[2-(dimethylamino)-5-sulfamoylphenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCN(C)c1ccc(S(N)(=O)=O)cc1NC(=O)CCc1nc(-c2ccccc2)no1
InChIInChI=1S/C19H21N5O4S/c1-24(2)16-9-8-14(29(20,26)27)12-15(16)21-17(25)10-11-18-22-19(23-28-18)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,21,25)(H2,20,26,27)
InChIKeyOJAWJMKCIKISFH-UHFFFAOYSA-N
MW415.48 g/mol
LogP2.02
Rot. Bonds7

About N-[2-(dimethylamino)-5-sulfamoylphenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

N-[2-(dimethylamino)-5-sulfamoylphenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 9302637) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-sulfamoylphenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-sulfamoylphenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID9302637
Molecular FormulaC19H21N5O4S
Molecular Weight415.48 g/mol
Exact Mass415.13
IUPAC NameN-[2-(dimethylamino)-5-sulfamoylphenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCN(C)c1ccc(S(N)(=O)=O)cc1NC(=O)CCc1nc(-c2ccccc2)no1
InChIInChI=1S/C19H21N5O4S/c1-24(2)16-9-8-14(29(20,26)27)12-15(16)21-17(25)10-11-18-22-19(23-28-18)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,21,25)(H2,20,26,27)
InChIKeyOJAWJMKCIKISFH-UHFFFAOYSA-N
XLogP2.02
TPSA131.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)propanamide
CID 100758466
N-[4-(dimethylamino)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 110330622
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16599589
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 17354560
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide
CID 26723837
N-(2-fluoro-5-methylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18197998
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 17354607
N-(5-acetamido-2-fluorophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 24673840
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide
CID 42921804
N-naphthalen-2-yl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9191876
N-(4-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762262

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-sulfamoylphenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[2-(dimethylamino)-5-sulfamoylphenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (CID 9302637) is N-[2-(dimethylamino)-5-sulfamoylphenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-sulfamoylphenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)-5-sulfamoylphenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is CN(C)c1ccc(S(N)(=O)=O)cc1NC(=O)CCc1nc(-c2ccccc2)no1.
What is the InChIKey of N-[2-(dimethylamino)-5-sulfamoylphenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is OJAWJMKCIKISFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4S/c1-24(2)16-9-8-14(29(20,26)27)12-15(16)21-17(25)10-11-18-22-19(23-28-18)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,21,25)(H2,20,26,27).
What are the key properties of N-[2-(dimethylamino)-5-sulfamoylphenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[2-(dimethylamino)-5-sulfamoylphenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 415.48 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-sulfamoylphenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 9302637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).