N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide

C19H24N6O4S2 — CID 26881337

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)s1
InChIInChI=1S/C19H24N6O4S2/c1-3-18-22-23-19(30-18)21-17(26)7-6-16-20-14-12-13(4-5-15(14)24(16)2)31(27,28)25-8-10-29-11-9-25/h4-5,12H,3,6-11H2,1-2H3,(H,21,23,26)
InChIKeyKKHCROWLIUHFQL-UHFFFAOYSA-N
MW464.57 g/mol
LogP1.58
Rot. Bonds7

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide (PubChem CID 26881337) has the molecular formula C19H24N6O4S2 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
PubChem CID26881337
Molecular FormulaC19H24N6O4S2
Molecular Weight464.57 g/mol
Exact Mass464.13
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)s1
InChIInChI=1S/C19H24N6O4S2/c1-3-18-22-23-19(30-18)21-17(26)7-6-16-20-14-12-13(4-5-15(14)24(16)2)31(27,28)25-8-10-29-11-9-25/h4-5,12H,3,6-11H2,1-2H3,(H,21,23,26)
InChIKeyKKHCROWLIUHFQL-UHFFFAOYSA-N
XLogP1.58
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide (CID 26881337) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide is CCc1nnc(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
The InChIKey is KKHCROWLIUHFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O4S2/c1-3-18-22-23-19(30-18)21-17(26)7-6-16-20-14-12-13(4-5-15(14)24(16)2)31(27,28)25-8-10-29-11-9-25/h4-5,12H,3,6-11H2,1-2H3,(H,21,23,26).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide has a molecular weight of 464.57 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 26881337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).