N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-1-benzothiophene-2-carboxamide

C20H19FN2O4S2 — CID 24503051

IUPACN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)sc2ccccc12
InChIInChI=1S/C20H19FN2O4S2/c1-13-15-4-2-3-5-17(15)28-19(13)20(24)22-14-6-7-16(21)18(12-14)29(25,26)23-8-10-27-11-9-23/h2-7,12H,8-11H2,1H3,(H,22,24)
InChIKeyIUFKIJHMQHGIIV-UHFFFAOYSA-N
MW434.51 g/mol
LogP3.62
Rot. Bonds4

About N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-1-benzothiophene-2-carboxamide

N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 24503051) has the molecular formula C20H19FN2O4S2 and a molecular weight of 434.51 g/mol. Its IUPAC name is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID24503051
Molecular FormulaC20H19FN2O4S2
Molecular Weight434.51 g/mol
Exact Mass434.08
IUPAC NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)sc2ccccc12
InChIInChI=1S/C20H19FN2O4S2/c1-13-15-4-2-3-5-17(15)28-19(13)20(24)22-14-6-7-16(21)18(12-14)29(25,26)23-8-10-27-11-9-23/h2-7,12H,8-11H2,1H3,(H,22,24)
InChIKeyIUFKIJHMQHGIIV-UHFFFAOYSA-N
XLogP3.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,2-dimethylpropanoylamino)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide
CID 24664598
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide
CID 60575876
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 17447457
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 51154323
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-1-ylacetamide
CID 18158882
2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55341430
5-(2-fluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
CID 46408534
4-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 18158878
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-(2-fluorophenyl)-2-methylpropanamide
CID 60619156
4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide
CID 3900214
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 24673153
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,4,5-trimethoxybenzamide
CID 55341413

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-1-benzothiophene-2-carboxamide (CID 24503051) is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)sc2ccccc12.
What is the InChIKey of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is IUFKIJHMQHGIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4S2/c1-13-15-4-2-3-5-17(15)28-19(13)20(24)22-14-6-7-16(21)18(12-14)29(25,26)23-8-10-27-11-9-23/h2-7,12H,8-11H2,1H3,(H,22,24).
What are the key properties of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-1-benzothiophene-2-carboxamide?
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 434.51 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 24503051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).