N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide

C18H26N6O4S — CID 99787380

IUPACN-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(=O)NCc3nc(N(C)C)no3)CC2)cc1
InChIInChI=1S/C18H26N6O4S/c1-14-4-6-15(7-5-14)29(26,27)24-10-8-23(9-11-24)13-16(25)19-12-17-20-18(21-28-17)22(2)3/h4-7H,8-13H2,1-3H3,(H,19,25)
InChIKeyZELRBWMZTNUOAM-UHFFFAOYSA-N
MW422.51 g/mol
LogP0.07
Rot. Bonds7

About N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide

N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 99787380) has the molecular formula C18H26N6O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID99787380
Molecular FormulaC18H26N6O4S
Molecular Weight422.51 g/mol
Exact Mass422.17
IUPAC NameN-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(=O)NCc3nc(N(C)C)no3)CC2)cc1
InChIInChI=1S/C18H26N6O4S/c1-14-4-6-15(7-5-14)29(26,27)24-10-8-23(9-11-24)13-16(25)19-12-17-20-18(21-28-17)22(2)3/h4-7H,8-13H2,1-3H3,(H,19,25)
InChIKeyZELRBWMZTNUOAM-UHFFFAOYSA-N
XLogP0.07
TPSA111.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 27125327
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 31341519
N-[(2-fluorophenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 42000751
N-[2-(methylamino)ethyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide;dihydrochloride
CID 119501378
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8692063
N-(2-amino-2-ethylbutyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 119641093
4-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]butanoic acid
CID 119352613
N-[[3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 20933995
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8742873
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 8688511
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 122561933
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 9104805

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide (CID 99787380) is N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide is Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCc3nc(N(C)C)no3)CC2)cc1.
What is the InChIKey of N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is ZELRBWMZTNUOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O4S/c1-14-4-6-15(7-5-14)29(26,27)24-10-8-23(9-11-24)13-16(25)19-12-17-20-18(21-28-17)22(2)3/h4-7H,8-13H2,1-3H3,(H,19,25).
What are the key properties of N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 422.51 g/mol, XLogP of 0.07, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 99787380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).