N-(1-amino-2,3-dimethylbutan-2-yl)-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride

C14H26ClN3O4S — CID 119609108

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride
SMILESCc1oc(C(=O)NC(C)(CN)C(C)C)cc1S(=O)(=O)N(C)C.Cl
InChIInChI=1S/C14H25N3O4S.ClH/c1-9(2)14(4,8-15)16-13(18)11-7-12(10(3)21-11)22(19,20)17(5)6;/h7,9H,8,15H2,1-6H3,(H,16,18);1H
InChIKeyBULMUSDFNBWOMS-UHFFFAOYSA-N
MW367.90 g/mol
LogP1.36
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride (PubChem CID 119609108) has the molecular formula C14H26ClN3O4S and a molecular weight of 367.90 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride
PubChem CID119609108
Molecular FormulaC14H26ClN3O4S
Molecular Weight367.90 g/mol
Exact Mass367.13
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride
SMILESCc1oc(C(=O)NC(C)(CN)C(C)C)cc1S(=O)(=O)N(C)C.Cl
InChIInChI=1S/C14H25N3O4S.ClH/c1-9(2)14(4,8-15)16-13(18)11-7-12(10(3)21-11)22(19,20)17(5)6;/h7,9H,8,15H2,1-6H3,(H,16,18);1H
InChIKeyBULMUSDFNBWOMS-UHFFFAOYSA-N
XLogP1.36
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 119609057
N-[3-(aminomethyl)pentan-3-yl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride
CID 119572156
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 119606159
3-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]butanoic acid
CID 119347905
N-(1-amino-2,3-dimethylbutan-2-yl)-5,6-dimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119605826
N-(1-amino-2,3-dimethylbutan-2-yl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride
CID 119606849
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride
CID 119527350
(2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-4-methylpentanoic acid
CID 119364373
(2S)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-4-methylpentanoic acid
CID 119361847
N-(2-amino-1-cyclohexylethyl)-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride
CID 119592207
N-(1-amino-2,3-dimethylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 81485679
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 119606927

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride (CID 119609108) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride is Cc1oc(C(=O)NC(C)(CN)C(C)C)cc1S(=O)(=O)N(C)C.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride?
The InChIKey is BULMUSDFNBWOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4S.ClH/c1-9(2)14(4,8-15)16-13(18)11-7-12(10(3)21-11)22(19,20)17(5)6;/h7,9H,8,15H2,1-6H3,(H,16,18);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride has a molecular weight of 367.90 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 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)-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119609108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).