2-(2-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide

C20H24FN3O3S — CID 133166753

IUPAC2-(2-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(N2CCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C20H24FN3O3S/c1-15(24(28(2,26)27)19-8-4-3-7-18(19)21)20(25)22-16-9-11-17(12-10-16)23-13-5-6-14-23/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,22,25)
InChIKeyFAYARRBJOFQFCS-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.22
Rot. Bonds6

About 2-(2-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide

2-(2-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 133166753) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-(2-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(2-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID133166753
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC Name2-(2-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(N2CCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C20H24FN3O3S/c1-15(24(28(2,26)27)19-8-4-3-7-18(19)21)20(25)22-16-9-11-17(12-10-16)23-13-5-6-14-23/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,22,25)
InChIKeyFAYARRBJOFQFCS-UHFFFAOYSA-N
XLogP3.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoro-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 133166882
(2S)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100503371
(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 125075079
(2R)-N-(3,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 99131742
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 133166814
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)butanamide
CID 100523601
(2R)-2-(N-methylsulfonyl-4-phenoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100502277
2-(4-methyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 133166804
(2S)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100502761
N-(2-fluorophenyl)-N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 132667265
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166758
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 133166888

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 2-(2-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide (CID 133166753) is 2-(2-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 2-(2-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 2-(2-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide is CC(C(=O)Nc1ccc(N2CCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O.
What is the InChIKey of 2-(2-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is FAYARRBJOFQFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c1-15(24(28(2,26)27)19-8-4-3-7-18(19)21)20(25)22-16-9-11-17(12-10-16)23-13-5-6-14-23/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,22,25).
What are the key properties of 2-(2-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
2-(2-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 405.50 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 133166753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).