1-(2-methoxyethyl)-N-pentyl-4-sulfamoylpyrrole-2-carboxamide

C13H23N3O4S — CID 114611929

IUPAC1-(2-methoxyethyl)-N-pentyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCCCCCNC(=O)c1cc(S(N)(=O)=O)cn1CCOC
InChIInChI=1S/C13H23N3O4S/c1-3-4-5-6-15-13(17)12-9-11(21(14,18)19)10-16(12)7-8-20-2/h9-10H,3-8H2,1-2H3,(H,15,17)(H2,14,18,19)
InChIKeyKZDYPSMDYUYAFP-UHFFFAOYSA-N
MW317.41 g/mol
LogP0.70
Rot. Bonds9

About 1-(2-methoxyethyl)-N-pentyl-4-sulfamoylpyrrole-2-carboxamide

1-(2-methoxyethyl)-N-pentyl-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 114611929) has the molecular formula C13H23N3O4S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-pentyl-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-pentyl-4-sulfamoylpyrrole-2-carboxamide
PubChem CID114611929
Molecular FormulaC13H23N3O4S
Molecular Weight317.41 g/mol
Exact Mass317.14
IUPAC Name1-(2-methoxyethyl)-N-pentyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCCCCCNC(=O)c1cc(S(N)(=O)=O)cn1CCOC
InChIInChI=1S/C13H23N3O4S/c1-3-4-5-6-15-13(17)12-9-11(21(14,18)19)10-16(12)7-8-20-2/h9-10H,3-8H2,1-2H3,(H,15,17)(H2,14,18,19)
InChIKeyKZDYPSMDYUYAFP-UHFFFAOYSA-N
XLogP0.70
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
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

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethyl)-N-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 114611998
N-(2,2-difluoroethyl)-1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxamide
CID 114612444
1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylic acid
CID 114612786
1-(2-methoxyethyl)-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide
CID 114611880
1-(2-methoxyethyl)-N-[(2-methylcyclopropyl)methyl]-4-sulfamoylpyrrole-2-carboxamide
CID 114612483
3-methylbutyl 1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylate
CID 114612712
butyl 4-chlorosulfonyl-1-(2-methoxyethyl)pyrrole-2-carboxylate
CID 114611671
N-(2-ethoxyethyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60977535
1-methyl-5-(pentylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 65366972
4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 16780234
1-methyl-N-(3-methylsulfonylpropyl)-4-sulfamoylpyrrole-2-carboxamide
CID 61149529
5-(3-methylsulfinylpropylcarbamoyl)-1-propylpyrrole-3-sulfonyl chloride
CID 114611587

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-pentyl-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-pentyl-4-sulfamoylpyrrole-2-carboxamide (CID 114611929) is 1-(2-methoxyethyl)-N-pentyl-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-pentyl-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-pentyl-4-sulfamoylpyrrole-2-carboxamide is CCCCCNC(=O)c1cc(S(N)(=O)=O)cn1CCOC.
What is the InChIKey of 1-(2-methoxyethyl)-N-pentyl-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is KZDYPSMDYUYAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S/c1-3-4-5-6-15-13(17)12-9-11(21(14,18)19)10-16(12)7-8-20-2/h9-10H,3-8H2,1-2H3,(H,15,17)(H2,14,18,19).
What are the key properties of 1-(2-methoxyethyl)-N-pentyl-4-sulfamoylpyrrole-2-carboxamide?
1-(2-methoxyethyl)-N-pentyl-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 0.70, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-pentyl-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 114611929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).