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

C17H24N4O4S — CID 47029394

IUPACN-[4-(dimethylsulfamoyl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)c1noc(CCCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)n1
InChIInChI=1S/C17H24N4O4S/c1-12(2)17-19-16(25-20-17)7-5-6-15(22)18-13-8-10-14(11-9-13)26(23,24)21(3)4/h8-12H,5-7H2,1-4H3,(H,18,22)
InChIKeyKHWNCVKWVDZFOM-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.40
Rot. Bonds8

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

N-[4-(dimethylsulfamoyl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 47029394) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID47029394
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)c1noc(CCCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)n1
InChIInChI=1S/C17H24N4O4S/c1-12(2)17-19-16(25-20-17)7-5-6-15(22)18-13-8-10-14(11-9-13)26(23,24)21(3)4/h8-12H,5-7H2,1-4H3,(H,18,22)
InChIKeyKHWNCVKWVDZFOM-UHFFFAOYSA-N
XLogP2.40
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55664000
N-(4-tert-butylphenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46446507
4-[methyl(propan-2-yl)sulfamoyl]-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 49032493
N'-[2-(4-methylanilino)acetyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanehydrazide
CID 56504264
N-methyl-N-propan-2-yl-4-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]benzamide
CID 55760328
N-[4-(diethylsulfamoyl)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 43048633
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 47255836
2-[2-fluoro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]acetic acid
CID 122110181
N,N-dimethyl-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 38817806
N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110893892
N-(3-hydroxybutyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111429116
N-[4-(diethylamino)phenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 52667872

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 47029394) is N-[4-(dimethylsulfamoyl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is CC(C)c1noc(CCCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)n1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is KHWNCVKWVDZFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-12(2)17-19-16(25-20-17)7-5-6-15(22)18-13-8-10-14(11-9-13)26(23,24)21(3)4/h8-12H,5-7H2,1-4H3,(H,18,22).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
N-[4-(dimethylsulfamoyl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 380.47 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 47029394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).