N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide

C12H21N3O4S — CID 65381407

IUPACN-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCOCC(NC(=O)c1cc(S(N)(=O)=O)cn1C)C(C)C
InChIInChI=1S/C12H21N3O4S/c1-8(2)10(7-19-4)14-12(16)11-5-9(6-15(11)3)20(13,17)18/h5-6,8,10H,7H2,1-4H3,(H,14,16)(H2,13,17,18)
InChIKeyABIHSDXBBFZLCC-UHFFFAOYSA-N
MW303.38 g/mol
LogP0.07
Rot. Bonds6

About N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide

N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 65381407) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
PubChem CID65381407
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCOCC(NC(=O)c1cc(S(N)(=O)=O)cn1C)C(C)C
InChIInChI=1S/C12H21N3O4S/c1-8(2)10(7-19-4)14-12(16)11-5-9(6-15(11)3)20(13,17)18/h5-6,8,10H,7H2,1-4H3,(H,14,16)(H2,13,17,18)
InChIKeyABIHSDXBBFZLCC-UHFFFAOYSA-N
XLogP0.07
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 50.07
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-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]propanoic acid
CID 16779987
N-(4-methoxy-2,2-dimethylbutyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 104625478
N-[(2R)-2-hydroxypropyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 83032455
3-methoxy-4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 103153124
(2S)-4-amino-2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid
CID 63713897
4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-propylpyrrole-2-carboxamide
CID 65049794
1-methyl-4-sulfamoyl-N-[(1S)-1-(2,4,6-trifluorophenyl)ethyl]pyrrole-2-carboxamide
CID 166370858
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 1-methyl-4-sulfamoylpyrrole-2-carboxylate
CID 43035923
N-(2-ethoxyethyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60977535
N-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 61381311
1-(2-methoxyethyl)-N-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 114611998

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide (CID 65381407) is N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide is COCC(NC(=O)c1cc(S(N)(=O)=O)cn1C)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is ABIHSDXBBFZLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-8(2)10(7-19-4)14-12(16)11-5-9(6-15(11)3)20(13,17)18/h5-6,8,10H,7H2,1-4H3,(H,14,16)(H2,13,17,18).
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 303.38 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 65381407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).