5-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylfuran-2-carboxamide

C19H23FN2O4S — CID 55919608

IUPAC5-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylfuran-2-carboxamide
SMILESC=CCN(Cc1ccccc1F)C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1
InChIInChI=1S/C19H23FN2O4S/c1-5-12-22(13-14-8-6-7-9-15(14)20)18(23)16-10-11-17(26-16)27(24,25)21-19(2,3)4/h5-11,21H,1,12-13H2,2-4H3
InChIKeySRSPIGYUKLRFIU-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.32
Rot. Bonds7

About 5-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylfuran-2-carboxamide

5-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylfuran-2-carboxamide (PubChem CID 55919608) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylfuran-2-carboxamide
PubChem CID55919608
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC Name5-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylfuran-2-carboxamide
SMILESC=CCN(Cc1ccccc1F)C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1
InChIInChI=1S/C19H23FN2O4S/c1-5-12-22(13-14-8-6-7-9-15(14)20)18(23)16-10-11-17(26-16)27(24,25)21-19(2,3)4/h5-11,21H,1,12-13H2,2-4H3
InChIKeySRSPIGYUKLRFIU-UHFFFAOYSA-N
XLogP3.32
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(tert-butylsulfamoyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]furan-2-carboxamide
CID 55975340
methyl 2-[benzyl-[5-(tert-butylsulfamoyl)furan-2-carbonyl]amino]acetate
CID 55992465
N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide
CID 84571244
3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]propanoic acid
CID 122019259
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylbenzamide
CID 55976656
7-amino-N-[(2-fluorophenyl)methyl]-N-prop-2-enylheptanamide
CID 119746541
5-(tert-butylsulfamoyl)-N-methyl-N-(4-phenoxyphenyl)furan-2-carboxamide
CID 47085584
2-[acetyl(prop-2-enyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113158508
5-(tert-butylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 38813024
3-(tert-butylsulfamoyl)-4-chloro-N,N-bis(prop-2-enyl)benzamide
CID 30878670
methyl N-[3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]phenyl]carbamate
CID 87035283
4-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 33247250

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylfuran-2-carboxamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylfuran-2-carboxamide (CID 55919608) is 5-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylfuran-2-carboxamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylfuran-2-carboxamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylfuran-2-carboxamide is C=CCN(Cc1ccccc1F)C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylfuran-2-carboxamide?
The InChIKey is SRSPIGYUKLRFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-5-12-22(13-14-8-6-7-9-15(14)20)18(23)16-10-11-17(26-16)27(24,25)21-19(2,3)4/h5-11,21H,1,12-13H2,2-4H3.
What are the key properties of 5-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylfuran-2-carboxamide?
5-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylfuran-2-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylfuran-2-carboxamide is sourced from PubChem (CID 55919608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).