N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]phenyl]acetamide;hydrochloride

C16H22ClN5O4S — CID 120860237

IUPACN-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2nc(C3(N)CCC3)no2)cc1.Cl
InChIInChI=1S/C16H21N5O4S.ClH/c1-11(22)18-12-4-6-13(7-5-12)26(23,24)21(2)10-14-19-15(20-25-14)16(17)8-3-9-16;/h4-7H,3,8-10,17H2,1-2H3,(H,18,22);1H
InChIKeyBTNNBSGNZLGULP-UHFFFAOYSA-N
MW415.90 g/mol
LogP1.61
Rot. Bonds6

About N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]phenyl]acetamide;hydrochloride

N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]phenyl]acetamide;hydrochloride (PubChem CID 120860237) has the molecular formula C16H22ClN5O4S and a molecular weight of 415.90 g/mol. Its IUPAC name is N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]phenyl]acetamide;hydrochloride
PubChem CID120860237
Molecular FormulaC16H22ClN5O4S
Molecular Weight415.90 g/mol
Exact Mass415.11
IUPAC NameN-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2nc(C3(N)CCC3)no2)cc1.Cl
InChIInChI=1S/C16H21N5O4S.ClH/c1-11(22)18-12-4-6-13(7-5-12)26(23,24)21(2)10-14-19-15(20-25-14)16(17)8-3-9-16;/h4-7H,3,8-10,17H2,1-2H3,(H,18,22);1H
InChIKeyBTNNBSGNZLGULP-UHFFFAOYSA-N
XLogP1.61
TPSA131.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]phenyl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfamoyl]phenyl]acetamide
CID 6485283
N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylethanesulfonamide
CID 120851786
1-[5-[[methyl(propyl)amino]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859082
N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]cyclopropanecarboxamide
CID 120863866
N-[4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 6462480
2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonyl-N,N-dimethylacetamide
CID 120861550
N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
CID 120861153
N-[4-[(4-hydroxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 139950958
N-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 2578354
N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-bromo-N-methylthiophene-2-carboxamide;hydrochloride
CID 120862505
N-[4-[cyclohexyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]phenyl]acetamide
CID 17358750
N-[4-[(2-ethylpyrazol-3-yl)methyl-methylsulfamoyl]phenyl]acetamide
CID 35520805

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]phenyl]acetamide;hydrochloride (CID 120860237) is N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]phenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2nc(C3(N)CCC3)no2)cc1.Cl.
What is the InChIKey of N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]phenyl]acetamide;hydrochloride?
The InChIKey is BTNNBSGNZLGULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4S.ClH/c1-11(22)18-12-4-6-13(7-5-12)26(23,24)21(2)10-14-19-15(20-25-14)16(17)8-3-9-16;/h4-7H,3,8-10,17H2,1-2H3,(H,18,22);1H.
What are the key properties of N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]phenyl]acetamide;hydrochloride?
N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]phenyl]acetamide;hydrochloride has a molecular weight of 415.90 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 120860237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).