2-(4-fluorophenyl)sulfonyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide

C22H21FN2O5S — CID 55930463

IUPAC2-(4-fluorophenyl)sulfonyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)C(C)S(=O)(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C22H21FN2O5S/c1-14-4-10-19(20(12-14)29-3)30-21-11-7-17(13-24-21)25-22(26)15(2)31(27,28)18-8-5-16(23)6-9-18/h4-13,15H,1-3H3,(H,25,26)
InChIKeyMOSYJWJVDPWLBL-UHFFFAOYSA-N
MW444.48 g/mol
LogP4.13
Rot. Bonds7

About 2-(4-fluorophenyl)sulfonyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide

2-(4-fluorophenyl)sulfonyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide (PubChem CID 55930463) has the molecular formula C22H21FN2O5S and a molecular weight of 444.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide
PubChem CID55930463
Molecular FormulaC22H21FN2O5S
Molecular Weight444.48 g/mol
Exact Mass444.12
IUPAC Name2-(4-fluorophenyl)sulfonyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)C(C)S(=O)(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C22H21FN2O5S/c1-14-4-10-19(20(12-14)29-3)30-21-11-7-17(13-24-21)25-22(26)15(2)31(27,28)18-8-5-16(23)6-9-18/h4-13,15H,1-3H3,(H,25,26)
InChIKeyMOSYJWJVDPWLBL-UHFFFAOYSA-N
XLogP4.13
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-fluorophenyl)sulfonyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide with MolForge

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Related Compounds

(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide
CID 55939550
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide
CID 55675008
1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-pentylurea
CID 52627553
5-chloro-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]furan-2-carboxamide
CID 55675140
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56582665
1-N-cyclopropyl-4-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]benzene-1,4-disulfonamide
CID 55895850
1-(2,4-difluorophenyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide
CID 55679313
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide
CID 167970581
2-(dimethylamino)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 55965315
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 166204034
4-bromo-N-[3-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-3-oxopropyl]benzamide
CID 55675161
(2R,3S)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-methylmorpholine-3-carboxamide
CID 120939327

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide (CID 55930463) is 2-(4-fluorophenyl)sulfonyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide is COc1cc(C)ccc1Oc1ccc(NC(=O)C(C)S(=O)(=O)c2ccc(F)cc2)cn1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide?
The InChIKey is MOSYJWJVDPWLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O5S/c1-14-4-10-19(20(12-14)29-3)30-21-11-7-17(13-24-21)25-22(26)15(2)31(27,28)18-8-5-16(23)6-9-18/h4-13,15H,1-3H3,(H,25,26).
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide?
2-(4-fluorophenyl)sulfonyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide has a molecular weight of 444.48 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide is sourced from PubChem (CID 55930463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).