N-(2-ethoxyethyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide

C10H17N3O4S — CID 60977535

IUPACN-(2-ethoxyethyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCCOCCNC(=O)c1cc(S(N)(=O)=O)cn1C
InChIInChI=1S/C10H17N3O4S/c1-3-17-5-4-12-10(14)9-6-8(7-13(9)2)18(11,15)16/h6-7H,3-5H2,1-2H3,(H,12,14)(H2,11,15,16)
InChIKeyQUKKYTBZAADRAW-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.56
Rot. Bonds6

About N-(2-ethoxyethyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide

N-(2-ethoxyethyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 60977535) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
PubChem CID60977535
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC NameN-(2-ethoxyethyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCCOCCNC(=O)c1cc(S(N)(=O)=O)cn1C
InChIInChI=1S/C10H17N3O4S/c1-3-17-5-4-12-10(14)9-6-8(7-13(9)2)18(11,15)16/h6-7H,3-5H2,1-2H3,(H,12,14)(H2,11,15,16)
InChIKeyQUKKYTBZAADRAW-UHFFFAOYSA-N
XLogP-0.56
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.56
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

N-(2-ethoxyethyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 87020144
4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 16780234
1-methyl-N-(3-methylsulfonylpropyl)-4-sulfamoylpyrrole-2-carboxamide
CID 61149529
N-(2-ethoxyethyl)-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 63722565
N-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 61381311
N-(4-methoxy-2,2-dimethylbutyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 104625478
N-[(2R)-2-hydroxypropyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 83032455
N-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 65231546
N-(1-methoxypropan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60718274
3-methoxy-4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 103153124
4-bromo-N-(3-ethoxypropyl)-1-methylpyrrole-2-carboxamide
CID 43411143
1-(2-methoxyethyl)-N-pentyl-4-sulfamoylpyrrole-2-carboxamide
CID 114611929

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide (CID 60977535) is N-(2-ethoxyethyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide is CCOCCNC(=O)c1cc(S(N)(=O)=O)cn1C.
What is the InChIKey of N-(2-ethoxyethyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is QUKKYTBZAADRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-3-17-5-4-12-10(14)9-6-8(7-13(9)2)18(11,15)16/h6-7H,3-5H2,1-2H3,(H,12,14)(H2,11,15,16).
What are the key properties of N-(2-ethoxyethyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
N-(2-ethoxyethyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 275.33 g/mol, XLogP of -0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 60977535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).