N-[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]-3-(4-methoxyphenyl)-N-methylpropanamide

C22H22FN3O4S — CID 171152815

IUPACN-[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]-3-(4-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(CCC(=O)N(C)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C22H22FN3O4S/c1-26(22(27)14-5-16-3-9-19(30-2)10-4-16)21-13-8-18(15-24-21)25-31(28,29)20-11-6-17(23)7-12-20/h3-4,6-13,15,25H,5,14H2,1-2H3
InChIKeyWCTYVONJUUHACR-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.63
Rot. Bonds8

About N-[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]-3-(4-methoxyphenyl)-N-methylpropanamide

N-[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]-3-(4-methoxyphenyl)-N-methylpropanamide (PubChem CID 171152815) has the molecular formula C22H22FN3O4S and a molecular weight of 443.50 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]-3-(4-methoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]-3-(4-methoxyphenyl)-N-methylpropanamide
PubChem CID171152815
Molecular FormulaC22H22FN3O4S
Molecular Weight443.50 g/mol
Exact Mass443.13
IUPAC NameN-[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]-3-(4-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(CCC(=O)N(C)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C22H22FN3O4S/c1-26(22(27)14-5-16-3-9-19(30-2)10-4-16)21-13-8-18(15-24-21)25-31(28,29)20-11-6-17(23)7-12-20/h3-4,6-13,15,25H,5,14H2,1-2H3
InChIKeyWCTYVONJUUHACR-UHFFFAOYSA-N
XLogP3.63
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-N-(4-methoxyphenyl)sulfonyl-N-methylpropanamide
CID 87012644
N-[6-(dipropylamino)-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 113015745
N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 103775697
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 55572143
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 126397504
N-[(4-fluorophenyl)methyl]-3-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide
CID 27376809
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27228930
N-[(4-ethylphenyl)methyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24546779
N-[1-(4-fluorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 43906348
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methoxyacetamide
CID 33102586

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]-3-(4-methoxyphenyl)-N-methylpropanamide?
The IUPAC name of N-[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]-3-(4-methoxyphenyl)-N-methylpropanamide (CID 171152815) is N-[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]-3-(4-methoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]-3-(4-methoxyphenyl)-N-methylpropanamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]-3-(4-methoxyphenyl)-N-methylpropanamide is COc1ccc(CCC(=O)N(C)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cn2)cc1.
What is the InChIKey of N-[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]-3-(4-methoxyphenyl)-N-methylpropanamide?
The InChIKey is WCTYVONJUUHACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4S/c1-26(22(27)14-5-16-3-9-19(30-2)10-4-16)21-13-8-18(15-24-21)25-31(28,29)20-11-6-17(23)7-12-20/h3-4,6-13,15,25H,5,14H2,1-2H3.
What are the key properties of N-[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]-3-(4-methoxyphenyl)-N-methylpropanamide?
N-[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]-3-(4-methoxyphenyl)-N-methylpropanamide has a molecular weight of 443.50 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]-3-(4-methoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 171152815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).