2-(3-fluoroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

C20H24FN3O3S — CID 17446764

IUPAC2-(3-fluoroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCC(Nc1cccc(F)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H24FN3O3S/c1-15(22-18-7-5-6-16(21)14-18)20(25)23-17-8-10-19(11-9-17)28(26,27)24-12-3-2-4-13-24/h5-11,14-15,22H,2-4,12-13H2,1H3,(H,23,25)
InChIKeyJGLNOASJYHLKBN-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.44
Rot. Bonds6

About 2-(3-fluoroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

2-(3-fluoroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 17446764) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-(3-fluoroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID17446764
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC Name2-(3-fluoroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCC(Nc1cccc(F)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H24FN3O3S/c1-15(22-18-7-5-6-16(21)14-18)20(25)23-17-8-10-19(11-9-17)28(26,27)24-12-3-2-4-13-24/h5-11,14-15,22H,2-4,12-13H2,1H3,(H,23,25)
InChIKeyJGLNOASJYHLKBN-UHFFFAOYSA-N
XLogP3.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 41157437
(2R)-2-(3-ethynylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 37310140
4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide
CID 2665307
2-(3-acetylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 43018790
(2R)-N-(3-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 9493165
2-[(6-methoxy-3-pyridinyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55571603
(2R)-2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 2113251
2-[1-(2-chlorophenyl)ethylamino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55352204
(2S)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(2,2,2-trifluoroethoxy)anilino]propanamide
CID 42119298
N-(3-fluorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46625514
(2R)-2-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 2369628
2-(2,4-difluorophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 17070647

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 2-(3-fluoroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 17446764) is 2-(3-fluoroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-(3-fluoroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 2-(3-fluoroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is CC(Nc1cccc(F)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(3-fluoroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is JGLNOASJYHLKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c1-15(22-18-7-5-6-16(21)14-18)20(25)23-17-8-10-19(11-9-17)28(26,27)24-12-3-2-4-13-24/h5-11,14-15,22H,2-4,12-13H2,1H3,(H,23,25).
What are the key properties of 2-(3-fluoroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
2-(3-fluoroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 405.50 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 17446764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).