2-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]acetic acid

C10H15N3O5S — CID 61022936

IUPAC2-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cc(S(N)(=O)=O)cn1C
InChIInChI=1S/C10H15N3O5S/c1-3-13(6-9(14)15)10(16)8-4-7(5-12(8)2)19(11,17)18/h4-5H,3,6H2,1-2H3,(H,14,15)(H2,11,17,18)
InChIKeyMCXKFJPFSVURLU-UHFFFAOYSA-N
MW289.31 g/mol
LogP-0.78
Rot. Bonds5

About 2-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]acetic acid

2-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]acetic acid (PubChem CID 61022936) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]acetic acid
PubChem CID61022936
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name2-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cc(S(N)(=O)=O)cn1C
InChIInChI=1S/C10H15N3O5S/c1-3-13(6-9(14)15)10(16)8-4-7(5-12(8)2)19(11,17)18/h4-5H,3,6H2,1-2H3,(H,14,15)(H2,11,17,18)
InChIKeyMCXKFJPFSVURLU-UHFFFAOYSA-N
XLogP-0.78
TPSA122.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)-prop-2-enylamino]acetic acid
CID 79263055
3-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 62822599
N-(2-ethoxyethyl)-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 63722565
N-cyclopentyl-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 65387791
N-[3-(diethylcarbamoyl)phenyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 31518280
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 102558605
4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 16780234
N-ethyl-1-propan-2-yl-N-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612110
5-[cyclopropylmethyl(ethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65367480
5-[ethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65366824
2-[ethyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid
CID 61011424
N-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 61381311

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]acetic acid (CID 61022936) is 2-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]acetic acid is CCN(CC(=O)O)C(=O)c1cc(S(N)(=O)=O)cn1C.
What is the InChIKey of 2-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]acetic acid?
The InChIKey is MCXKFJPFSVURLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c1-3-13(6-9(14)15)10(16)8-4-7(5-12(8)2)19(11,17)18/h4-5H,3,6H2,1-2H3,(H,14,15)(H2,11,17,18).
What are the key properties of 2-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]acetic acid?
2-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]acetic acid has a molecular weight of 289.31 g/mol, XLogP of -0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 61022936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).