3-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide

C16H18FN3O3S — CID 113143425

IUPAC3-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCc1cccnc1)c1ccccc1F
InChIInChI=1S/C16H18FN3O3S/c1-24(22,23)20(15-7-3-2-6-14(15)17)10-8-16(21)19-12-13-5-4-9-18-11-13/h2-7,9,11H,8,10,12H2,1H3,(H,19,21)
InChIKeySRDHBJCUJWTADE-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.69
Rot. Bonds7

About 3-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide

3-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 113143425) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is 3-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID113143425
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Name3-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCc1cccnc1)c1ccccc1F
InChIInChI=1S/C16H18FN3O3S/c1-24(22,23)20(15-7-3-2-6-14(15)17)10-8-16(21)19-12-13-5-4-9-18-11-13/h2-7,9,11H,8,10,12H2,1H3,(H,19,21)
InChIKeySRDHBJCUJWTADE-UHFFFAOYSA-N
XLogP1.69
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113142594
3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113143416
3-(2-fluoro-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 113143427
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 113138115
3-(2,6-difluoro-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113147134
3-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113145189
4-(2-fluoro-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53288065
3-(2-ethyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113142705
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 113139495
3-[2-methoxyethyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113137660
2-(2-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113157157
3-[3-methoxypropyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113137826

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide (CID 113143425) is 3-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide is CS(=O)(=O)N(CCC(=O)NCc1cccnc1)c1ccccc1F.
What is the InChIKey of 3-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is SRDHBJCUJWTADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c1-24(22,23)20(15-7-3-2-6-14(15)17)10-8-16(21)19-12-13-5-4-9-18-11-13/h2-7,9,11H,8,10,12H2,1H3,(H,19,21).
What are the key properties of 3-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide?
3-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 351.40 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 113143425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).