N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide

C17H23N3O4S — CID 119527259

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NCC(N)c2ccc(C(C)C)cc2)o1
InChIInChI=1S/C17H23N3O4S/c1-11(2)12-4-6-13(7-5-12)14(18)10-20-17(21)15-8-9-16(24-15)25(22,23)19-3/h4-9,11,14,19H,10,18H2,1-3H3,(H,20,21)
InChIKeyQYCUZWWPYIVJER-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.74
Rot. Bonds7

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide (PubChem CID 119527259) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
PubChem CID119527259
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NCC(N)c2ccc(C(C)C)cc2)o1
InChIInChI=1S/C17H23N3O4S/c1-11(2)12-4-6-13(7-5-12)14(18)10-20-17(21)15-8-9-16(24-15)25(22,23)19-3/h4-9,11,14,19H,10,18H2,1-3H3,(H,20,21)
InChIKeyQYCUZWWPYIVJER-UHFFFAOYSA-N
XLogP1.74
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-5-sulfamoylfuran-2-carboxamide
CID 47318772
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 94108532
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride
CID 119527350
N-[2-(ethylamino)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 119509422
N-[2-(dimethylamino)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 110476323
N-[4-(2-methylpropanoylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 46430489
5-(methylsulfamoyl)-N-(3,3,3-trifluoropropyl)furan-2-carboxamide
CID 112527770
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 47028971
4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 119526891
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylfuran-2-carboxamide
CID 119525583
2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]butanoic acid
CID 119223928
N-(3-amino-4-methylpentyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride
CID 119661236

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide (CID 119527259) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide is CNS(=O)(=O)c1ccc(C(=O)NCC(N)c2ccc(C(C)C)cc2)o1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide?
The InChIKey is QYCUZWWPYIVJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-11(2)12-4-6-13(7-5-12)14(18)10-20-17(21)15-8-9-16(24-15)25(22,23)19-3/h4-9,11,14,19H,10,18H2,1-3H3,(H,20,21).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 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]-5-(methylsulfamoyl)furan-2-carboxamide is sourced from PubChem (CID 119527259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).