2-(benzimidazol-1-yl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]ethanesulfonamide

C16H21N5O3S — CID 155951162

IUPAC2-(benzimidazol-1-yl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]ethanesulfonamide
SMILESCC(C)(C)c1nc(CNS(=O)(=O)CCn2cnc3ccccc32)no1
InChIInChI=1S/C16H21N5O3S/c1-16(2,3)15-19-14(20-24-15)10-18-25(22,23)9-8-21-11-17-12-6-4-5-7-13(12)21/h4-7,11,18H,8-10H2,1-3H3
InChIKeyZXVJITKWOAJPFU-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.84
Rot. Bonds6

About 2-(benzimidazol-1-yl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]ethanesulfonamide

2-(benzimidazol-1-yl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]ethanesulfonamide (PubChem CID 155951162) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]ethanesulfonamide
PubChem CID155951162
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC Name2-(benzimidazol-1-yl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]ethanesulfonamide
SMILESCC(C)(C)c1nc(CNS(=O)(=O)CCn2cnc3ccccc32)no1
InChIInChI=1S/C16H21N5O3S/c1-16(2,3)15-19-14(20-24-15)10-18-25(22,23)9-8-21-11-17-12-6-4-5-7-13(12)21/h4-7,11,18H,8-10H2,1-3H3
InChIKeyZXVJITKWOAJPFU-UHFFFAOYSA-N
XLogP1.84
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(benzimidazol-1-yl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]ethanesulfonamide with MolForge

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Related Compounds

3-(benzimidazol-1-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propan-1-amine
CID 28781418
2-(benzimidazol-1-yl)ethanesulfonyl fluoride
CID 4107358
N-[3-(benzimidazol-1-yl)propyl]-1-bromomethanesulfonamide
CID 83093191
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110294399
2-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]ethanesulfonamide
CID 33487644
N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 47127030
3-[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-5-tert-butyl-1,2,4-oxadiazole
CID 139003246
6-(benzimidazol-1-yl)hexane-1-sulfonic acid
CID 18415223
1-[2-(benzimidazol-1-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 145423125
[3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 114218088
1-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazole
CID 18125983
3-tert-butyl-N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 110632715

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]ethanesulfonamide (CID 155951162) is 2-(benzimidazol-1-yl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]ethanesulfonamide is CC(C)(C)c1nc(CNS(=O)(=O)CCn2cnc3ccccc32)no1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]ethanesulfonamide?
The InChIKey is ZXVJITKWOAJPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-16(2,3)15-19-14(20-24-15)10-18-25(22,23)9-8-21-11-17-12-6-4-5-7-13(12)21/h4-7,11,18H,8-10H2,1-3H3.
What are the key properties of 2-(benzimidazol-1-yl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]ethanesulfonamide?
2-(benzimidazol-1-yl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]ethanesulfonamide has a molecular weight of 363.44 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 155951162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).