N-(1-ethoxypropan-2-yl)-1-ethyl-4-sulfamoylpyrrole-2-carboxamide

C12H21N3O4S — CID 114612273

IUPACN-(1-ethoxypropan-2-yl)-1-ethyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCCOCC(C)NC(=O)c1cc(S(N)(=O)=O)cn1CC
InChIInChI=1S/C12H21N3O4S/c1-4-15-7-10(20(13,17)18)6-11(15)12(16)14-9(3)8-19-5-2/h6-7,9H,4-5,8H2,1-3H3,(H,14,16)(H2,13,17,18)
InChIKeyODWDSXCRFXCVAC-UHFFFAOYSA-N
MW303.38 g/mol
LogP0.31
Rot. Bonds7

About N-(1-ethoxypropan-2-yl)-1-ethyl-4-sulfamoylpyrrole-2-carboxamide

N-(1-ethoxypropan-2-yl)-1-ethyl-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 114612273) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-1-ethyl-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-1-ethyl-4-sulfamoylpyrrole-2-carboxamide
PubChem CID114612273
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC NameN-(1-ethoxypropan-2-yl)-1-ethyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCCOCC(C)NC(=O)c1cc(S(N)(=O)=O)cn1CC
InChIInChI=1S/C12H21N3O4S/c1-4-15-7-10(20(13,17)18)6-11(15)12(16)14-9(3)8-19-5-2/h6-7,9H,4-5,8H2,1-3H3,(H,14,16)(H2,13,17,18)
InChIKeyODWDSXCRFXCVAC-UHFFFAOYSA-N
XLogP0.31
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methoxypropan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60718274
2,4-dichloro-N-(1-ethoxypropan-2-yl)-5-sulfamoylbenzamide
CID 65389005
5-(1-cyclopropylpropan-2-ylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
CID 114611416
N-[(2S)-1-aminopropan-2-yl]-4-bromo-1-ethylpyrrole-2-carboxamide
CID 120508288
N-(4-methylpentan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612172
4-amino-1-ethyl-N-[(2S)-1-hydroxypropan-2-yl]pyrrole-2-carboxamide
CID 93254381
2-[2-(1-ethoxypropan-2-ylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79331225
1-ethyl-5-(3-ethylpentan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611399
N-(1-ethoxypropan-2-yl)-4-methoxy-3-sulfamoylbenzamide
CID 65389004
1-ethyl-N-(1-oxothian-4-yl)-4-sulfamoylpyrrole-2-carboxamide
CID 114612520
1-ethyl-N-(oxan-2-ylmethyl)-4-sulfamoylpyrrole-2-carboxamide
CID 114612266
2-methylpropyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612702

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-1-ethyl-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of N-(1-ethoxypropan-2-yl)-1-ethyl-4-sulfamoylpyrrole-2-carboxamide (CID 114612273) is N-(1-ethoxypropan-2-yl)-1-ethyl-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-1-ethyl-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-1-ethyl-4-sulfamoylpyrrole-2-carboxamide is CCOCC(C)NC(=O)c1cc(S(N)(=O)=O)cn1CC.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-1-ethyl-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is ODWDSXCRFXCVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-4-15-7-10(20(13,17)18)6-11(15)12(16)14-9(3)8-19-5-2/h6-7,9H,4-5,8H2,1-3H3,(H,14,16)(H2,13,17,18).
What are the key properties of N-(1-ethoxypropan-2-yl)-1-ethyl-4-sulfamoylpyrrole-2-carboxamide?
N-(1-ethoxypropan-2-yl)-1-ethyl-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 303.38 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-1-ethyl-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 114612273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).