N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride

C19H28ClN3O4S — CID 119527350

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride
SMILESCc1oc(C(=O)NCC(N)c2ccc(C(C)C)cc2)cc1S(=O)(=O)N(C)C.Cl
InChIInChI=1S/C19H27N3O4S.ClH/c1-12(2)14-6-8-15(9-7-14)16(20)11-21-19(23)17-10-18(13(3)26-17)27(24,25)22(4)5;/h6-10,12,16H,11,20H2,1-5H3,(H,21,23);1H
InChIKeyXQZYQYXSMBZVHE-UHFFFAOYSA-N
MW429.97 g/mol
LogP2.81
Rot. Bonds7

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride (PubChem CID 119527350) has the molecular formula C19H28ClN3O4S and a molecular weight of 429.97 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride
PubChem CID119527350
Molecular FormulaC19H28ClN3O4S
Molecular Weight429.97 g/mol
Exact Mass429.15
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride
SMILESCc1oc(C(=O)NCC(N)c2ccc(C(C)C)cc2)cc1S(=O)(=O)N(C)C.Cl
InChIInChI=1S/C19H27N3O4S.ClH/c1-12(2)14-6-8-15(9-7-14)16(20)11-21-19(23)17-10-18(13(3)26-17)27(24,25)22(4)5;/h6-10,12,16H,11,20H2,1-5H3,(H,21,23);1H
InChIKeyXQZYQYXSMBZVHE-UHFFFAOYSA-N
XLogP2.81
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.97
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride
CID 119609108
3-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]butanoic acid
CID 119347905
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 119527259
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119526650
(2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-4-methylpentanoic acid
CID 119364373
N-[3-(aminomethyl)pentan-3-yl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride
CID 119572156
(2S)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-4-methylpentanoic acid
CID 119361847
6-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]hexanoic acid
CID 119352297
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 119526705
(2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-3-phenylpropanoic acid
CID 119367357
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylfuran-2-carboxamide
CID 119525583
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-4-methylbenzamide
CID 119526803

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride (CID 119527350) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride is Cc1oc(C(=O)NCC(N)c2ccc(C(C)C)cc2)cc1S(=O)(=O)N(C)C.Cl.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride?
The InChIKey is XQZYQYXSMBZVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S.ClH/c1-12(2)14-6-8-15(9-7-14)16(20)11-21-19(23)17-10-18(13(3)26-17)27(24,25)22(4)5;/h6-10,12,16H,11,20H2,1-5H3,(H,21,23);1H.
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride has a molecular weight of 429.97 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119527350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).