1-(2-methoxyethyl)-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide

C13H23N3O4S — CID 114611880

IUPAC1-(2-methoxyethyl)-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide
SMILESCCC(C)(C)NC(=O)c1cc(S(N)(=O)=O)cn1CCOC
InChIInChI=1S/C13H23N3O4S/c1-5-13(2,3)15-12(17)11-8-10(21(14,18)19)9-16(11)6-7-20-4/h8-9H,5-7H2,1-4H3,(H,15,17)(H2,14,18,19)
InChIKeyWPHLLLLJQSCKTG-UHFFFAOYSA-N
MW317.41 g/mol
LogP0.70
Rot. Bonds7

About 1-(2-methoxyethyl)-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide

1-(2-methoxyethyl)-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 114611880) has the molecular formula C13H23N3O4S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide
PubChem CID114611880
Molecular FormulaC13H23N3O4S
Molecular Weight317.41 g/mol
Exact Mass317.14
IUPAC Name1-(2-methoxyethyl)-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide
SMILESCCC(C)(C)NC(=O)c1cc(S(N)(=O)=O)cn1CCOC
InChIInChI=1S/C13H23N3O4S/c1-5-13(2,3)15-12(17)11-8-10(21(14,18)19)9-16(11)6-7-20-4/h8-9H,5-7H2,1-4H3,(H,15,17)(H2,14,18,19)
InChIKeyWPHLLLLJQSCKTG-UHFFFAOYSA-N
XLogP0.70
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide (CID 114611880) is 1-(2-methoxyethyl)-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide is CCC(C)(C)NC(=O)c1cc(S(N)(=O)=O)cn1CCOC.
What is the InChIKey of 1-(2-methoxyethyl)-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is WPHLLLLJQSCKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S/c1-5-13(2,3)15-12(17)11-8-10(21(14,18)19)9-16(11)6-7-20-4/h8-9H,5-7H2,1-4H3,(H,15,17)(H2,14,18,19).
What are the key properties of 1-(2-methoxyethyl)-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide?
1-(2-methoxyethyl)-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 114611880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).