N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide

C12H21N3O4S — CID 119609057

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide
SMILESCc1oc(C(=O)NC(C)(CN)C(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C12H21N3O4S/c1-7(2)12(4,6-13)15-11(16)9-5-10(8(3)19-9)20(14,17)18/h5,7H,6,13H2,1-4H3,(H,15,16)(H2,14,17,18)
InChIKeyQQYNEIRUUIXIGR-UHFFFAOYSA-N
MW303.38 g/mol
LogP0.34
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide

N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide (PubChem CID 119609057) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide
PubChem CID119609057
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide
SMILESCc1oc(C(=O)NC(C)(CN)C(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C12H21N3O4S/c1-7(2)12(4,6-13)15-11(16)9-5-10(8(3)19-9)20(14,17)18/h5,7H,6,13H2,1-4H3,(H,15,16)(H2,14,17,18)
InChIKeyQQYNEIRUUIXIGR-UHFFFAOYSA-N
XLogP0.34
TPSA128.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-{2-[(5-Dimethylsulfamoyl-furan-2-carbonyl)-amino]-ethyl}-1-methyl-azepanium
CID 24747087
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
CID 1244179
N~1~-(1-{[4-(2-Furylcarbonyl)piperazino]carbonyl}-2-methylpropyl)-1-benzenesulfonamide
CID 6460253
5-ethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]furan-2-carboxamide
CID 38968745
5-piperidin-1-ylsulfonyl-N-propylfuran-2-carboxamide
CID 40062837
5-(methylsulfamoyl)-N-(4-phenylbutan-2-yl)furan-2-carboxamide
CID 45816018
N-[[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 45828762
5-(dimethylsulfamoyl)-N-(1-hydroxy-2-methylpropan-2-yl)furan-2-carboxamide
CID 43500852
5-methyl-N-[(4-sulfamoylphenyl)methyl]furan-2-carboxamide
CID 845007
N-[2-(cyclohex-1-en-1-yl)ethyl]-5-(cyclopropylsulfamoyl)furan-2-carboxamide
CID 40151015
N-cyclopropyl-2-methyl-5-(pyrrolidine-1-carbonyl)furan-3-sulfonamide
CID 45497241
{5-[(dimethylamino)sulfonyl](2-furyl)}-N-[2-(methylazaperhydroepinyl)ethyl]car boxamide
CID 1158983

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide (CID 119609057) is N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide is Cc1oc(C(=O)NC(C)(CN)C(C)C)cc1S(N)(=O)=O.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide?
The InChIKey is QQYNEIRUUIXIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-7(2)12(4,6-13)15-11(16)9-5-10(8(3)19-9)20(14,17)18/h5,7H,6,13H2,1-4H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide has a molecular weight of 303.38 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide is sourced from PubChem (CID 119609057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).