N-(2-ethoxyethyl)-N-ethyl-4-sulfamoyl-1H-pyrrole-2-carboxamide

C11H19N3O4S — CID 65388486

IUPACN-(2-ethoxyethyl)-N-ethyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
SMILESCCOCCN(CC)C(=O)c1cc(S(N)(=O)=O)c[nH]1
InChIInChI=1S/C11H19N3O4S/c1-3-14(5-6-18-4-2)11(15)10-7-9(8-13-10)19(12,16)17/h7-8,13H,3-6H2,1-2H3,(H2,12,16,17)
InChIKeyHGNJTSPPNDSWSC-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.16
Rot. Bonds7

About N-(2-ethoxyethyl)-N-ethyl-4-sulfamoyl-1H-pyrrole-2-carboxamide

N-(2-ethoxyethyl)-N-ethyl-4-sulfamoyl-1H-pyrrole-2-carboxamide (PubChem CID 65388486) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-4-sulfamoyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
PubChem CID65388486
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
SMILESCCOCCN(CC)C(=O)c1cc(S(N)(=O)=O)c[nH]1
InChIInChI=1S/C11H19N3O4S/c1-3-14(5-6-18-4-2)11(15)10-7-9(8-13-10)19(12,16)17/h7-8,13H,3-6H2,1-2H3,(H2,12,16,17)
InChIKeyHGNJTSPPNDSWSC-UHFFFAOYSA-N
XLogP0.16
TPSA105.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-ethoxyethyl(ethyl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride
CID 65367237
3-chloro-N-(2-ethoxyethyl)-N-ethyl-5-sulfamoylbenzamide
CID 65388870
N-(2-ethoxyethyl)-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 63722565
N-propyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65375918
4-bromo-N-(2-ethoxyethyl)-N-ethyl-2-hydroxybenzamide
CID 63692169
3-[2-ethoxyethyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 63691803
3-methylbutyl 4-sulfamoyl-1H-pyrrole-2-carboxylate
CID 65380855
N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63718241
3-bromo-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65386871
3-bromo-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide
CID 81074001
ethyl 4-[2-ethoxyethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698032
6-amino-N-(2-ethoxyethyl)-N-ethylpyridine-2-carboxamide
CID 63691666

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-ethyl-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-4-sulfamoyl-1H-pyrrole-2-carboxamide (CID 65388486) is N-(2-ethoxyethyl)-N-ethyl-4-sulfamoyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-4-sulfamoyl-1H-pyrrole-2-carboxamide is CCOCCN(CC)C(=O)c1cc(S(N)(=O)=O)c[nH]1.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The InChIKey is HGNJTSPPNDSWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-3-14(5-6-18-4-2)11(15)10-7-9(8-13-10)19(12,16)17/h7-8,13H,3-6H2,1-2H3,(H2,12,16,17).
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-4-sulfamoyl-1H-pyrrole-2-carboxamide?
N-(2-ethoxyethyl)-N-ethyl-4-sulfamoyl-1H-pyrrole-2-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-4-sulfamoyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 65388486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).