4-[ethyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide

C10H17N3O4S — CID 54878609

IUPAC4-[ethyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCCN(CCO)S(=O)(=O)c1cc(C(N)=O)n(C)c1
InChIInChI=1S/C10H17N3O4S/c1-3-13(4-5-14)18(16,17)8-6-9(10(11)15)12(2)7-8/h6-7,14H,3-5H2,1-2H3,(H2,11,15)
InChIKeyXKDDXMOHGVKXKY-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.87
Rot. Bonds6

About 4-[ethyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide

4-[ethyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide (PubChem CID 54878609) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-[ethyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[ethyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
PubChem CID54878609
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name4-[ethyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCCN(CCO)S(=O)(=O)c1cc(C(N)=O)n(C)c1
InChIInChI=1S/C10H17N3O4S/c1-3-13(4-5-14)18(16,17)8-6-9(10(11)15)12(2)7-8/h6-7,14H,3-5H2,1-2H3,(H2,11,15)
InChIKeyXKDDXMOHGVKXKY-UHFFFAOYSA-N
XLogP-0.87
TPSA105.63 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 ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 107483821
4-[ethyl(2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 54878712
4-[ethyl(pyrrolidin-2-ylmethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 106608029
4-[2-hydroxyethyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 54876261
4-[azetidin-3-yl(propyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 66216482
2-[tert-butyl-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]acetic acid
CID 79262297
4-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 43588539
N-[(3-carbamoylphenyl)methyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 32637125
4-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 43578740
4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 79652333
4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 60732233
4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 115867593

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-[ethyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide (CID 54878609) is 4-[ethyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[ethyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-[ethyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide is CCN(CCO)S(=O)(=O)c1cc(C(N)=O)n(C)c1.
What is the InChIKey of 4-[ethyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is XKDDXMOHGVKXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-3-13(4-5-14)18(16,17)8-6-9(10(11)15)12(2)7-8/h6-7,14H,3-5H2,1-2H3,(H2,11,15).
What are the key properties of 4-[ethyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
4-[ethyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 275.33 g/mol, XLogP of -0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 54878609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).