N-[1-(3-benzamidophenyl)ethyl]-5-(tert-butylsulfamoyl)furan-2-carboxamide

C24H27N3O5S — CID 55693793

IUPACN-[1-(3-benzamidophenyl)ethyl]-5-(tert-butylsulfamoyl)furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C24H27N3O5S/c1-16(18-11-8-12-19(15-18)26-22(28)17-9-6-5-7-10-17)25-23(29)20-13-14-21(32-20)33(30,31)27-24(2,3)4/h5-16,27H,1-4H3,(H,25,29)(H,26,28)
InChIKeyVMZKXQAKJUAVRG-UHFFFAOYSA-N
MW469.56 g/mol
LogP4.10
Rot. Bonds7

About N-[1-(3-benzamidophenyl)ethyl]-5-(tert-butylsulfamoyl)furan-2-carboxamide

N-[1-(3-benzamidophenyl)ethyl]-5-(tert-butylsulfamoyl)furan-2-carboxamide (PubChem CID 55693793) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is N-[1-(3-benzamidophenyl)ethyl]-5-(tert-butylsulfamoyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-benzamidophenyl)ethyl]-5-(tert-butylsulfamoyl)furan-2-carboxamide
PubChem CID55693793
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC NameN-[1-(3-benzamidophenyl)ethyl]-5-(tert-butylsulfamoyl)furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C24H27N3O5S/c1-16(18-11-8-12-19(15-18)26-22(28)17-9-6-5-7-10-17)25-23(29)20-13-14-21(32-20)33(30,31)27-24(2,3)4/h5-16,27H,1-4H3,(H,25,29)(H,26,28)
InChIKeyVMZKXQAKJUAVRG-UHFFFAOYSA-N
XLogP4.10
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-benzamidophenyl)ethyl]-5-(diethylaminomethyl)furan-2-carboxamide
CID 47076551
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
5-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 55783720
5-(cyclopropylsulfamoyl)-N-[(1S)-1-phenylethyl]furan-2-carboxamide
CID 39878014
N-[3-[(1S)-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]phenyl]benzamide
CID 51725330
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-(tert-butylsulfamoyl)furan-2-carboxamide
CID 48731730
N-[1-(3-benzamidophenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 60596568
N-[1-(3-benzamidophenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55693616
N-[1-(3-benzamidophenyl)ethyl]pyrrolidine-1-carboxamide
CID 87003801
N-[3-[1-(3-thiophen-3-ylpropanoylamino)ethyl]phenyl]benzamide
CID 46465115
N-[(1R)-1-(3-benzamidophenyl)ethyl]-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 51956516
N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-2-chlorobenzamide
CID 46456768

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzamidophenyl)ethyl]-5-(tert-butylsulfamoyl)furan-2-carboxamide?
The IUPAC name of N-[1-(3-benzamidophenyl)ethyl]-5-(tert-butylsulfamoyl)furan-2-carboxamide (CID 55693793) is N-[1-(3-benzamidophenyl)ethyl]-5-(tert-butylsulfamoyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(3-benzamidophenyl)ethyl]-5-(tert-butylsulfamoyl)furan-2-carboxamide?
The canonical SMILES for N-[1-(3-benzamidophenyl)ethyl]-5-(tert-butylsulfamoyl)furan-2-carboxamide is CC(NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[1-(3-benzamidophenyl)ethyl]-5-(tert-butylsulfamoyl)furan-2-carboxamide?
The InChIKey is VMZKXQAKJUAVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-16(18-11-8-12-19(15-18)26-22(28)17-9-6-5-7-10-17)25-23(29)20-13-14-21(32-20)33(30,31)27-24(2,3)4/h5-16,27H,1-4H3,(H,25,29)(H,26,28).
What are the key properties of N-[1-(3-benzamidophenyl)ethyl]-5-(tert-butylsulfamoyl)furan-2-carboxamide?
N-[1-(3-benzamidophenyl)ethyl]-5-(tert-butylsulfamoyl)furan-2-carboxamide has a molecular weight of 469.56 g/mol, XLogP of 4.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzamidophenyl)ethyl]-5-(tert-butylsulfamoyl)furan-2-carboxamide is sourced from PubChem (CID 55693793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).