N-[2-(benzenesulfonamido)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide

C18H26N4O4S — CID 78869966

IUPACN-[2-(benzenesulfonamido)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)(C)c1noc(CCCC(=O)NCCNS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C18H26N4O4S/c1-18(2,3)17-21-16(26-22-17)11-7-10-15(23)19-12-13-20-27(24,25)14-8-5-4-6-9-14/h4-6,8-9,20H,7,10-13H2,1-3H3,(H,19,23)
InChIKeyNZZWQTWTUWENHJ-UHFFFAOYSA-N
MW394.50 g/mol
LogP1.78
Rot. Bonds9

About N-[2-(benzenesulfonamido)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide

N-[2-(benzenesulfonamido)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 78869966) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID78869966
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC NameN-[2-(benzenesulfonamido)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)(C)c1noc(CCCC(=O)NCCNS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C18H26N4O4S/c1-18(2,3)17-21-16(26-22-17)11-7-10-15(23)19-12-13-20-27(24,25)14-8-5-4-6-9-14/h4-6,8-9,20H,7,10-13H2,1-3H3,(H,19,23)
InChIKeyNZZWQTWTUWENHJ-UHFFFAOYSA-N
XLogP1.78
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]butanamide
CID 46456355
N-[2-(benzenesulfonamido)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119704245
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide
CID 111484432
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-[(4-methoxyphenyl)methoxy]ethyl]butanamide
CID 75399285
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-phenothiazin-10-ylpropyl)propanamide
CID 55679474
N-[2-(benzenesulfonamido)ethyl]-4-(3,4-dichlorophenyl)butanamide
CID 78894551
3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid
CID 119252322
N-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
CID 39886363
3-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]-N-ethylbenzamide
CID 55724183
5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentanoic acid
CID 43446819
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N'-(4-fluorophenyl)butanehydrazide
CID 126799900
3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806909

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[2-(benzenesulfonamido)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide (CID 78869966) is N-[2-(benzenesulfonamido)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[2-(benzenesulfonamido)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[2-(benzenesulfonamido)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide is CC(C)(C)c1noc(CCCC(=O)NCCNS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-[2-(benzenesulfonamido)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is NZZWQTWTUWENHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-18(2,3)17-21-16(26-22-17)11-7-10-15(23)19-12-13-20-27(24,25)14-8-5-4-6-9-14/h4-6,8-9,20H,7,10-13H2,1-3H3,(H,19,23).
What are the key properties of N-[2-(benzenesulfonamido)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide?
N-[2-(benzenesulfonamido)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 394.50 g/mol, XLogP of 1.78, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 78869966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).