N-(3-methylbutyl)-5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3,4-oxadiazole-2-carboxamide

C20H28N4O4S — CID 53131877

IUPACN-(3-methylbutyl)-5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)CCNC(=O)c1nnc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)o1
InChIInChI=1S/C20H28N4O4S/c1-14(2)8-11-21-18(25)20-23-22-19(28-20)16-4-6-17(7-5-16)29(26,27)24-12-9-15(3)10-13-24/h4-7,14-15H,8-13H2,1-3H3,(H,21,25)
InChIKeyOROHAHOGOJTZAN-UHFFFAOYSA-N
MW420.54 g/mol
LogP2.93
Rot. Bonds7

About N-(3-methylbutyl)-5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3,4-oxadiazole-2-carboxamide

N-(3-methylbutyl)-5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 53131877) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-(3-methylbutyl)-5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID53131877
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC NameN-(3-methylbutyl)-5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)CCNC(=O)c1nnc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)o1
InChIInChI=1S/C20H28N4O4S/c1-14(2)8-11-21-18(25)20-23-22-19(28-20)16-4-6-17(7-5-16)29(26,27)24-12-9-15(3)10-13-24/h4-7,14-15H,8-13H2,1-3H3,(H,21,25)
InChIKeyOROHAHOGOJTZAN-UHFFFAOYSA-N
XLogP2.93
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(3-methylpiperidin-1-yl)propyl]-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 50837043
5-(4-fluorophenyl)-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392671
N-[(2S)-butan-2-yl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 92898468
N-cycloheptyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 46393391
2-[[5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 3221358
N-[[(2R)-oxolan-2-yl]methyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 92898470
N-[2-(4-chlorophenyl)ethyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 50837228
N-[(4-methylphenyl)methyl]-5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 50837208
N-[2-(dimethylamino)ethyl]-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole-5-carboxamide
CID 53205247
5-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 50837275
N-[[4-(dimethylamino)phenyl]methyl]-5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 50837254
N-[(3-methoxyphenyl)methyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 50837187

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(3-methylbutyl)-5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3,4-oxadiazole-2-carboxamide (CID 53131877) is N-(3-methylbutyl)-5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3,4-oxadiazole-2-carboxamide is CC(C)CCNC(=O)c1nnc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)o1.
What is the InChIKey of N-(3-methylbutyl)-5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is OROHAHOGOJTZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c1-14(2)8-11-21-18(25)20-23-22-19(28-20)16-4-6-17(7-5-16)29(26,27)24-12-9-15(3)10-13-24/h4-7,14-15H,8-13H2,1-3H3,(H,21,25).
What are the key properties of N-(3-methylbutyl)-5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3,4-oxadiazole-2-carboxamide?
N-(3-methylbutyl)-5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 53131877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).