N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C17H23N5O4S — CID 167850393

IUPACN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)NC(C)(C)c1noc(C(C)(C)C)n1
InChIInChI=1S/C17H23N5O4S/c1-9-7-10-11(19-15(23)18-10)8-12(9)27(24,25)22-17(5,6)13-20-14(26-21-13)16(2,3)4/h7-8,22H,1-6H3,(H2,18,19,23)
InChIKeyXAPJIWWQIGDPHG-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.06
Rot. Bonds4

About N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 167850393) has the molecular formula C17H23N5O4S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID167850393
Molecular FormulaC17H23N5O4S
Molecular Weight393.47 g/mol
Exact Mass393.15
IUPAC NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)NC(C)(C)c1noc(C(C)(C)C)n1
InChIInChI=1S/C17H23N5O4S/c1-9-7-10-11(19-15(23)18-10)8-12(9)27(24,25)22-17(5,6)13-20-14(26-21-13)16(2,3)4/h7-8,22H,1-6H3,(H2,18,19,23)
InChIKeyXAPJIWWQIGDPHG-UHFFFAOYSA-N
XLogP2.06
TPSA133.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 167850393) is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)NC(C)(C)c1noc(C(C)(C)C)n1.
What is the InChIKey of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is XAPJIWWQIGDPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4S/c1-9-7-10-11(19-15(23)18-10)8-12(9)27(24,25)22-17(5,6)13-20-14(26-21-13)16(2,3)4/h7-8,22H,1-6H3,(H2,18,19,23).
What are the key properties of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 393.47 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 167850393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).