N-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]furan-2-carboxamide

C17H21N3O5S — CID 24635381

IUPACN-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]furan-2-carboxamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)NC(=O)c2ccco2)cc1
InChIInChI=1S/C17H21N3O5S/c1-11(2)20-26(23,24)14-8-6-13(7-9-14)19-16(21)12(3)18-17(22)15-5-4-10-25-15/h4-12,20H,1-3H3,(H,18,22)(H,19,21)
InChIKeyQPNWIRAYJLZOEI-UHFFFAOYSA-N
MW379.44 g/mol
LogP1.72
Rot. Bonds7

About N-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]furan-2-carboxamide

N-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]furan-2-carboxamide (PubChem CID 24635381) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]furan-2-carboxamide
PubChem CID24635381
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC NameN-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]furan-2-carboxamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)NC(=O)c2ccco2)cc1
InChIInChI=1S/C17H21N3O5S/c1-11(2)20-26(23,24)14-8-6-13(7-9-14)19-16(21)12(3)18-17(22)15-5-4-10-25-15/h4-12,20H,1-3H3,(H,18,22)(H,19,21)
InChIKeyQPNWIRAYJLZOEI-UHFFFAOYSA-N
XLogP1.72
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 2534154
N-[(2R)-1-anilino-1-oxopropan-2-yl]furan-2-carboxamide
CID 42561606
N-[(2S)-1-oxo-1-[4-(pyrimidin-2-ylamino)anilino]propan-2-yl]furan-2-carboxamide
CID 146098608
N-[(2S)-1-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 26007431
N-[1-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyanilino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 5028088
N-[1-(3-iodoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24664556
N-[1-[5-[(3-chlorophenyl)sulfamoyl]-2-methylanilino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 5006611
N-[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 42561579
N-[1-(3-chloro-4-piperidin-1-ylanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 86830485
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] (2R)-2-(furan-2-carbonylamino)propanoate
CID 40834225
N-[(2R)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]furan-2-carboxamide
CID 2468415

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]furan-2-carboxamide (CID 24635381) is N-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]furan-2-carboxamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]furan-2-carboxamide?
The InChIKey is QPNWIRAYJLZOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-11(2)20-26(23,24)14-8-6-13(7-9-14)19-16(21)12(3)18-17(22)15-5-4-10-25-15/h4-12,20H,1-3H3,(H,18,22)(H,19,21).
What are the key properties of N-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]furan-2-carboxamide?
N-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]furan-2-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 24635381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).