1-(2-methoxyethyl)-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxobenzimidazole-5-sulfonamide

C17H25N5O5S — CID 135215684

IUPAC1-(2-methoxyethyl)-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxobenzimidazole-5-sulfonamide
SMILESCOCCn1c(=O)n(C2NNC(C)O2)c2cc(S(=O)(=O)NC3(C)CC3)ccc21
InChIInChI=1S/C17H25N5O5S/c1-11-18-19-15(27-11)22-14-10-12(28(24,25)20-17(2)6-7-17)4-5-13(14)21(16(22)23)8-9-26-3/h4-5,10-11,15,18-20H,6-9H2,1-3H3
InChIKeyYEOYUYKSGOOWLQ-UHFFFAOYSA-N
MW411.48 g/mol
LogP0.21
Rot. Bonds7

About 1-(2-methoxyethyl)-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxobenzimidazole-5-sulfonamide

1-(2-methoxyethyl)-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxobenzimidazole-5-sulfonamide (PubChem CID 135215684) has the molecular formula C17H25N5O5S and a molecular weight of 411.48 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxobenzimidazole-5-sulfonamide
PubChem CID135215684
Molecular FormulaC17H25N5O5S
Molecular Weight411.48 g/mol
Exact Mass411.16
IUPAC Name1-(2-methoxyethyl)-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxobenzimidazole-5-sulfonamide
SMILESCOCCn1c(=O)n(C2NNC(C)O2)c2cc(S(=O)(=O)NC3(C)CC3)ccc21
InChIInChI=1S/C17H25N5O5S/c1-11-18-19-15(27-11)22-14-10-12(28(24,25)20-17(2)6-7-17)4-5-13(14)21(16(22)23)8-9-26-3/h4-5,10-11,15,18-20H,6-9H2,1-3H3
InChIKeyYEOYUYKSGOOWLQ-UHFFFAOYSA-N
XLogP0.21
TPSA115.62 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-1H-benzimidazole-5-sulfonamide
CID 135215641
1-(2-cyclopropylethyl)-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide
CID 121415781
3-methyl-N-(1-methylcyclopropyl)-1-[(1-methylcyclopropyl)methyl]-2-oxobenzimidazole-5-sulfonamide
CID 121415808
3-methyl-N-(1-methylcyclopropyl)-1-(2-methylpropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398247
1-methyl-N-(1-methylcyclopropyl)-3-[(3-methylimidazolidin-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 134183410
1-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(1-methylcyclopropyl)-3-(5-methyl-2,5-dihydro-1,3,4-thiadiazol-2-yl)-2-oxobenzimidazole-5-sulfonamide
CID 163735704
3-methyl-N-(1-methylcyclopropyl)-1-[(2-methylpyrazol-3-yl)methyl]-2-oxobenzimidazole-5-sulfonamide
CID 135205664
1-[(2,4-dimethyl-1,3-thiazolidin-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazolidin-2-yl)benzimidazole-5-sulfonamide
CID 135215660
3-ethyl-N-(1-methylcyclopropyl)-1-(2-methylpropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398359
N-(1-methylcyclopropyl)-2,4-dioxo-1-(3,3,3-trifluoropropyl)quinazoline-6-sulfonamide
CID 169187288
3-amino-1-[4-fluoro-2-(fluoromethyl)butyl]-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 169187166
1-benzyl-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398822

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of 1-(2-methoxyethyl)-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxobenzimidazole-5-sulfonamide (CID 135215684) is 1-(2-methoxyethyl)-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxobenzimidazole-5-sulfonamide is COCCn1c(=O)n(C2NNC(C)O2)c2cc(S(=O)(=O)NC3(C)CC3)ccc21.
What is the InChIKey of 1-(2-methoxyethyl)-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is YEOYUYKSGOOWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O5S/c1-11-18-19-15(27-11)22-14-10-12(28(24,25)20-17(2)6-7-17)4-5-13(14)21(16(22)23)8-9-26-3/h4-5,10-11,15,18-20H,6-9H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxobenzimidazole-5-sulfonamide?
1-(2-methoxyethyl)-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 411.48 g/mol, XLogP of 0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 135215684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).