4-[(2-fluorophenyl)sulfamoyl]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1H-pyrrole-2-carboxamide

C19H20FN3O3S2 — CID 51950892

IUPAC4-[(2-fluorophenyl)sulfamoyl]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1H-pyrrole-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)c1cccs1
InChIInChI=1S/C19H20FN3O3S2/c1-12(2)18(17-8-5-9-27-17)22-19(24)16-10-13(11-21-16)28(25,26)23-15-7-4-3-6-14(15)20/h3-12,18,21,23H,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyJVSSKCZIWNJFMP-SFHVURJKSA-N
MW421.52 g/mol
LogP4.14
Rot. Bonds7

About 4-[(2-fluorophenyl)sulfamoyl]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1H-pyrrole-2-carboxamide

4-[(2-fluorophenyl)sulfamoyl]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1H-pyrrole-2-carboxamide (PubChem CID 51950892) has the molecular formula C19H20FN3O3S2 and a molecular weight of 421.52 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)sulfamoyl]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)sulfamoyl]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1H-pyrrole-2-carboxamide
PubChem CID51950892
Molecular FormulaC19H20FN3O3S2
Molecular Weight421.52 g/mol
Exact Mass421.09
IUPAC Name4-[(2-fluorophenyl)sulfamoyl]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1H-pyrrole-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)c1cccs1
InChIInChI=1S/C19H20FN3O3S2/c1-12(2)18(17-8-5-9-27-17)22-19(24)16-10-13(11-21-16)28(25,26)23-15-7-4-3-6-14(15)20/h3-12,18,21,23H,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyJVSSKCZIWNJFMP-SFHVURJKSA-N
XLogP4.14
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chlorophenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 46691959
4-[(3,4-difluorophenyl)sulfonylamino]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 46613275
4-[(2-fluorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 46651101
N-(2-methyl-1-thiophen-2-ylpropyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 46613254
3-[(2-fluorophenyl)sulfamoyl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 40790769
3-[(2-fluorophenyl)sulfamoyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 40790771
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 43006754
3-[(2-fluorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 24640460
2-fluoro-N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]benzamide
CID 17421518
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
5-chloro-N-(2-methyl-1-thiophen-2-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64609039
3-[(2-fluorophenyl)sulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide
CID 78856698

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)sulfamoyl]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[(2-fluorophenyl)sulfamoyl]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1H-pyrrole-2-carboxamide (CID 51950892) is 4-[(2-fluorophenyl)sulfamoyl]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[(2-fluorophenyl)sulfamoyl]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[(2-fluorophenyl)sulfamoyl]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1H-pyrrole-2-carboxamide is CC(C)[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)c1cccs1.
What is the InChIKey of 4-[(2-fluorophenyl)sulfamoyl]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1H-pyrrole-2-carboxamide?
The InChIKey is JVSSKCZIWNJFMP-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20FN3O3S2/c1-12(2)18(17-8-5-9-27-17)22-19(24)16-10-13(11-21-16)28(25,26)23-15-7-4-3-6-14(15)20/h3-12,18,21,23H,1-2H3,(H,22,24)/t18-/m0/s1.
What are the key properties of 4-[(2-fluorophenyl)sulfamoyl]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1H-pyrrole-2-carboxamide?
4-[(2-fluorophenyl)sulfamoyl]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1H-pyrrole-2-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 4.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)sulfamoyl]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 51950892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).