5-(2,2-dimethylpropanoylamino)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide

C21H26FN3O5S2 — CID 24664598

IUPAC5-(2,2-dimethylpropanoylamino)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H26FN3O5S2/c1-13-11-17(24-20(27)21(2,3)4)31-18(13)19(26)23-14-5-6-15(22)16(12-14)32(28,29)25-7-9-30-10-8-25/h5-6,11-12H,7-10H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyUFTFEGIQTNGDMD-UHFFFAOYSA-N
MW483.59 g/mol
LogP3.45
Rot. Bonds5

About 5-(2,2-dimethylpropanoylamino)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide

5-(2,2-dimethylpropanoylamino)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide (PubChem CID 24664598) has the molecular formula C21H26FN3O5S2 and a molecular weight of 483.59 g/mol. Its IUPAC name is 5-(2,2-dimethylpropanoylamino)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2,2-dimethylpropanoylamino)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide
PubChem CID24664598
Molecular FormulaC21H26FN3O5S2
Molecular Weight483.59 g/mol
Exact Mass483.13
IUPAC Name5-(2,2-dimethylpropanoylamino)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H26FN3O5S2/c1-13-11-17(24-20(27)21(2,3)4)31-18(13)19(26)23-14-5-6-15(22)16(12-14)32(28,29)25-7-9-30-10-8-25/h5-6,11-12H,7-10H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyUFTFEGIQTNGDMD-UHFFFAOYSA-N
XLogP3.45
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(2,2-dimethylpropanoylamino)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 24503051
5-(2,2-dimethylpropanoylamino)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-methylthiophene-2-carboxamide
CID 24677265
5-(2,2-dimethylpropanoylamino)-3-methyl-N-(4-methyl-3-sulfamoylphenyl)thiophene-2-carboxamide
CID 46678103
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide
CID 60575876
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-(2-fluorophenyl)-2-methylpropanamide
CID 60619156
2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55341430
5-(2,2-dimethylpropanoylamino)-3-methyl-N-(4-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 18283905
4-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 18158878
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 24673153
3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
CID 25434857
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 51154323
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,4,5-trimethoxybenzamide
CID 55341413

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropanoylamino)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-(2,2-dimethylpropanoylamino)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide (CID 24664598) is 5-(2,2-dimethylpropanoylamino)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(2,2-dimethylpropanoylamino)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(2,2-dimethylpropanoylamino)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide is Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 5-(2,2-dimethylpropanoylamino)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide?
The InChIKey is UFTFEGIQTNGDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O5S2/c1-13-11-17(24-20(27)21(2,3)4)31-18(13)19(26)23-14-5-6-15(22)16(12-14)32(28,29)25-7-9-30-10-8-25/h5-6,11-12H,7-10H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of 5-(2,2-dimethylpropanoylamino)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide?
5-(2,2-dimethylpropanoylamino)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide has a molecular weight of 483.59 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropanoylamino)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 24664598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).