4-[2-(ethylamino)ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide

C11H20N4O3S — CID 62664942

IUPAC4-[2-(ethylamino)ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCCNCCNS(=O)(=O)c1cc(C(=O)NC)n(C)c1
InChIInChI=1S/C11H20N4O3S/c1-4-13-5-6-14-19(17,18)9-7-10(11(16)12-2)15(3)8-9/h7-8,13-14H,4-6H2,1-3H3,(H,12,16)
InChIKeyASBZKGYVVMTFKM-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.73
Rot. Bonds7

About 4-[2-(ethylamino)ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide

4-[2-(ethylamino)ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 62664942) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-[2-(ethylamino)ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[2-(ethylamino)ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID62664942
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name4-[2-(ethylamino)ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCCNCCNS(=O)(=O)c1cc(C(=O)NC)n(C)c1
InChIInChI=1S/C11H20N4O3S/c1-4-13-5-6-14-19(17,18)9-7-10(11(16)12-2)15(3)8-9/h7-8,13-14H,4-6H2,1-3H3,(H,12,16)
InChIKeyASBZKGYVVMTFKM-UHFFFAOYSA-N
XLogP-0.73
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(ethylamino)propylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 61403394
4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 65113366
4-[(1-hydroxycyclobutyl)methylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 115753892
3-methyl-4-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]butanoic acid
CID 81066158
4-(1-aminobutan-2-ylsulfamoyl)-N,1-dimethylpyrrole-2-carboxamide
CID 65193315
N,1-dimethyl-4-[(4-methylpiperidin-4-yl)methylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 120720016
1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 119973057
4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 63298942
4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 115754747
4-[(1-aminocycloheptyl)methylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 119998679
1-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]cyclobutane-1-carboxylic acid
CID 81165438
N,1-dimethyl-4-(pyrrolidin-2-ylmethylsulfamoyl)pyrrole-2-carboxamide
CID 62541291

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-[2-(ethylamino)ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide (CID 62664942) is 4-[2-(ethylamino)ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[2-(ethylamino)ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-[2-(ethylamino)ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide is CCNCCNS(=O)(=O)c1cc(C(=O)NC)n(C)c1.
What is the InChIKey of 4-[2-(ethylamino)ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is ASBZKGYVVMTFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-4-13-5-6-14-19(17,18)9-7-10(11(16)12-2)15(3)8-9/h7-8,13-14H,4-6H2,1-3H3,(H,12,16).
What are the key properties of 4-[2-(ethylamino)ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
4-[2-(ethylamino)ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 288.37 g/mol, XLogP of -0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 62664942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).