N-[1-[3-(butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

C20H27N3O5S — CID 46510440

IUPACN-[1-[3-(butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)C(NC(=O)c2ccco2)C(C)C)c1
InChIInChI=1S/C20H27N3O5S/c1-4-5-11-21-29(26,27)16-9-6-8-15(13-16)22-20(25)18(14(2)3)23-19(24)17-10-7-12-28-17/h6-10,12-14,18,21H,4-5,11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyRLJFUFSZLAHNNR-UHFFFAOYSA-N
MW421.52 g/mol
LogP2.75
Rot. Bonds10

About N-[1-[3-(butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[1-[3-(butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 46510440) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[1-[3-(butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID46510440
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC NameN-[1-[3-(butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)C(NC(=O)c2ccco2)C(C)C)c1
InChIInChI=1S/C20H27N3O5S/c1-4-5-11-21-29(26,27)16-9-6-8-15(13-16)22-20(25)18(14(2)3)23-19(24)17-10-7-12-28-17/h6-10,12-14,18,21H,4-5,11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyRLJFUFSZLAHNNR-UHFFFAOYSA-N
XLogP2.75
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[1-[3-(butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-[3-(tert-butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9371831
N-[1-(3-hydroxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 78783328
N-[1-[3-[(dimethylamino)methyl]anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 86931910
2-methoxyethyl N-[3-[[2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]phenyl]carbamate
CID 47740738
N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]furan-2-carboxamide
CID 9138688
N-[3-[3-(2-aminoethylsulfamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 119465293
N-[3-methyl-1-oxo-1-[3-(thiomorpholin-4-ylmethyl)anilino]butan-2-yl]furan-2-carboxamide
CID 49005878
N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide
CID 7611111
N-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24540679
N-[3-(butylsulfamoyl)phenyl]-2-diethoxyphosphorylacetamide
CID 3854038
N-[(2S,3R)-1-(dodecylamino)-3-hydroxy-1-oxobutan-2-yl]furan-2-carboxamide
CID 90112893
N-[3-[3-(butylsulfamoyl)anilino]-3-oxopropyl]furan-3-carboxamide
CID 38748493

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[3-(butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 46510440) is N-[1-[3-(butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[3-(butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[3-(butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is CCCCNS(=O)(=O)c1cccc(NC(=O)C(NC(=O)c2ccco2)C(C)C)c1.
What is the InChIKey of N-[1-[3-(butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is RLJFUFSZLAHNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-4-5-11-21-29(26,27)16-9-6-8-15(13-16)22-20(25)18(14(2)3)23-19(24)17-10-7-12-28-17/h6-10,12-14,18,21H,4-5,11H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[1-[3-(butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[1-[3-(butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 2.75, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 46510440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).