1-ethyl-N-(oxan-2-ylmethyl)-4-sulfamoylpyrrole-2-carboxamide

C13H21N3O4S — CID 114612266

IUPAC1-ethyl-N-(oxan-2-ylmethyl)-4-sulfamoylpyrrole-2-carboxamide
SMILESCCn1cc(S(N)(=O)=O)cc1C(=O)NCC1CCCCO1
InChIInChI=1S/C13H21N3O4S/c1-2-16-9-11(21(14,18)19)7-12(16)13(17)15-8-10-5-3-4-6-20-10/h7,9-10H,2-6,8H2,1H3,(H,15,17)(H2,14,18,19)
InChIKeyMJAZVESHIXZBSH-UHFFFAOYSA-N
MW315.39 g/mol
LogP0.45
Rot. Bonds5

About 1-ethyl-N-(oxan-2-ylmethyl)-4-sulfamoylpyrrole-2-carboxamide

1-ethyl-N-(oxan-2-ylmethyl)-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 114612266) has the molecular formula C13H21N3O4S and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-ethyl-N-(oxan-2-ylmethyl)-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(oxan-2-ylmethyl)-4-sulfamoylpyrrole-2-carboxamide
PubChem CID114612266
Molecular FormulaC13H21N3O4S
Molecular Weight315.39 g/mol
Exact Mass315.13
IUPAC Name1-ethyl-N-(oxan-2-ylmethyl)-4-sulfamoylpyrrole-2-carboxamide
SMILESCCn1cc(S(N)(=O)=O)cc1C(=O)NCC1CCCCO1
InChIInChI=1S/C13H21N3O4S/c1-2-16-9-11(21(14,18)19)7-12(16)13(17)15-8-10-5-3-4-6-20-10/h7,9-10H,2-6,8H2,1H3,(H,15,17)(H2,14,18,19)
InChIKeyMJAZVESHIXZBSH-UHFFFAOYSA-N
XLogP0.45
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenyl)-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrole-2-carboxamide
CID 95096640
5-(cyclobutylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
CID 114611200
4-amino-N-(oxan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 55014453
cyclohexyl 1-ethyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612676
1-ethyl-N-(1-oxothian-4-yl)-4-sulfamoylpyrrole-2-carboxamide
CID 114612520
4-ethyl-N-(oxolan-2-ylmethyl)-3-sulfamoylbenzamide
CID 65374368
4-methyl-N-(oxan-2-ylmethyl)-5-sulfamoylthiophene-3-carboxamide
CID 79819213
2-methoxy-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide
CID 4883084
N-(cyclopentylmethyl)-1-cyclopropyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612168
2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536
3-bromo-5-methyl-N-(oxan-2-ylmethyl)benzamide
CID 104852566
5-bromo-N-(oxolan-2-ylmethyl)-4-sulfamoylfuran-2-carboxamide
CID 65374946

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(oxan-2-ylmethyl)-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of 1-ethyl-N-(oxan-2-ylmethyl)-4-sulfamoylpyrrole-2-carboxamide (CID 114612266) is 1-ethyl-N-(oxan-2-ylmethyl)-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-(oxan-2-ylmethyl)-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for 1-ethyl-N-(oxan-2-ylmethyl)-4-sulfamoylpyrrole-2-carboxamide is CCn1cc(S(N)(=O)=O)cc1C(=O)NCC1CCCCO1.
What is the InChIKey of 1-ethyl-N-(oxan-2-ylmethyl)-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is MJAZVESHIXZBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-2-16-9-11(21(14,18)19)7-12(16)13(17)15-8-10-5-3-4-6-20-10/h7,9-10H,2-6,8H2,1H3,(H,15,17)(H2,14,18,19).
What are the key properties of 1-ethyl-N-(oxan-2-ylmethyl)-4-sulfamoylpyrrole-2-carboxamide?
1-ethyl-N-(oxan-2-ylmethyl)-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(oxan-2-ylmethyl)-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 114612266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).