N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide

C22H23FN2O5S — CID 60575876

IUPACN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc(C)c2c(C)c(C(=O)Nc3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)oc12
InChIInChI=1S/C22H23FN2O5S/c1-13-4-5-14(2)20-19(13)15(3)21(30-20)22(26)24-16-6-7-17(23)18(12-16)31(27,28)25-8-10-29-11-9-25/h4-7,12H,8-11H2,1-3H3,(H,24,26)
InChIKeyOANGHHMKVGFOMH-UHFFFAOYSA-N
MW446.50 g/mol
LogP3.77
Rot. Bonds4

About N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide

N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide (PubChem CID 60575876) has the molecular formula C22H23FN2O5S and a molecular weight of 446.50 g/mol. Its IUPAC name is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide
PubChem CID60575876
Molecular FormulaC22H23FN2O5S
Molecular Weight446.50 g/mol
Exact Mass446.13
IUPAC NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc(C)c2c(C)c(C(=O)Nc3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)oc12
InChIInChI=1S/C22H23FN2O5S/c1-13-4-5-14(2)20-19(13)15(3)21(30-20)22(26)24-16-6-7-17(23)18(12-16)31(27,28)25-8-10-29-11-9-25/h4-7,12H,8-11H2,1-3H3,(H,24,26)
InChIKeyOANGHHMKVGFOMH-UHFFFAOYSA-N
XLogP3.77
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-morpholin-4-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide
CID 24664598
2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55341430
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
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
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 17447457
2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119265799
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide
CID 47718513
2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 119265798
3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
CID 25434857

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide (CID 60575876) is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide is Cc1ccc(C)c2c(C)c(C(=O)Nc3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)oc12.
What is the InChIKey of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide?
The InChIKey is OANGHHMKVGFOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O5S/c1-13-4-5-14(2)20-19(13)15(3)21(30-20)22(26)24-16-6-7-17(23)18(12-16)31(27,28)25-8-10-29-11-9-25/h4-7,12H,8-11H2,1-3H3,(H,24,26).
What are the key properties of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide?
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide has a molecular weight of 446.50 g/mol, XLogP of 3.77, 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)-3,4,7-trimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 60575876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).