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

C12H21N3O4S — CID 63722565

IUPACN-(2-ethoxyethyl)-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCCOCCN(CC)C(=O)c1cc(S(N)(=O)=O)cn1C
InChIInChI=1S/C12H21N3O4S/c1-4-15(6-7-19-5-2)12(16)11-8-10(9-14(11)3)20(13,17)18/h8-9H,4-7H2,1-3H3,(H2,13,17,18)
InChIKeyCTLOPTVCVZQLSB-UHFFFAOYSA-N
MW303.38 g/mol
LogP0.17
Rot. Bonds7

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

N-(2-ethoxyethyl)-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 63722565) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide
PubChem CID63722565
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCCOCCN(CC)C(=O)c1cc(S(N)(=O)=O)cn1C
InChIInChI=1S/C12H21N3O4S/c1-4-15(6-7-19-5-2)12(16)11-8-10(9-14(11)3)20(13,17)18/h8-9H,4-7H2,1-3H3,(H2,13,17,18)
InChIKeyCTLOPTVCVZQLSB-UHFFFAOYSA-N
XLogP0.17
TPSA94.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]acetic acid
CID 61022936
N-(2-ethoxyethyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60977535
5-[2-ethoxyethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 81074609
N-(2-ethoxyethyl)-N-ethyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65388486
3-chloro-N-(2-ethoxyethyl)-N-ethyl-5-sulfamoylbenzamide
CID 65388870
3-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 62822599
N-ethyl-1-propan-2-yl-N-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612110
N-cyclopentyl-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 65387791
2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)-prop-2-enylamino]acetic acid
CID 79263055
2-ethoxyethyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate
CID 65396196
N-[3-(diethylcarbamoyl)phenyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 31518280
3-[2-ethoxyethyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 63691803

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide (CID 63722565) is N-(2-ethoxyethyl)-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide is CCOCCN(CC)C(=O)c1cc(S(N)(=O)=O)cn1C.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is CTLOPTVCVZQLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-4-15(6-7-19-5-2)12(16)11-8-10(9-14(11)3)20(13,17)18/h8-9H,4-7H2,1-3H3,(H2,13,17,18).
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
N-(2-ethoxyethyl)-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 303.38 g/mol, XLogP of 0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 63722565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).