N-(4-fluorophenyl)-2-phenyl-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide

C24H24FN3O3S — CID 42911934

IUPACN-(4-fluorophenyl)-2-phenyl-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide
SMILESO=C(Nc1ccc(F)cc1)C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C24H24FN3O3S/c25-19-11-13-20(14-12-19)27-24(29)23(18-7-2-1-3-8-18)26-21-9-6-10-22(17-21)32(30,31)28-15-4-5-16-28/h1-3,6-14,17,23,26H,4-5,15-16H2,(H,27,29)
InChIKeyHQJKUYVZWBSVBT-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.40
Rot. Bonds7

About N-(4-fluorophenyl)-2-phenyl-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide

N-(4-fluorophenyl)-2-phenyl-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide (PubChem CID 42911934) has the molecular formula C24H24FN3O3S and a molecular weight of 453.54 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-phenyl-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-phenyl-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide
PubChem CID42911934
Molecular FormulaC24H24FN3O3S
Molecular Weight453.54 g/mol
Exact Mass453.15
IUPAC NameN-(4-fluorophenyl)-2-phenyl-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide
SMILESO=C(Nc1ccc(F)cc1)C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C24H24FN3O3S/c25-19-11-13-20(14-12-19)27-24(29)23(18-7-2-1-3-8-18)26-21-9-6-10-22(17-21)32(30,31)28-15-4-5-16-28/h1-3,6-14,17,23,26H,4-5,15-16H2,(H,27,29)
InChIKeyHQJKUYVZWBSVBT-UHFFFAOYSA-N
XLogP4.40
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-anilino-N-(4-fluorophenyl)-2-phenylacetamide
CID 7830464
2-(4-fluoroanilino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 46799428
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 3431872
2-(3-fluoroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 17446764
4-fluoro-N-[3-methyl-1-oxo-1-(3-piperidin-1-ylsulfonylanilino)butan-2-yl]benzamide
CID 43005167
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 60540977
(2S)-2-(2-morpholin-4-ylethylamino)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide
CID 30729039
(3R)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 7926305
3-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 30684734
3-(4-fluorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9414940
4-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 110312103
2,6-difluoro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252564

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-phenyl-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-phenyl-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide (CID 42911934) is N-(4-fluorophenyl)-2-phenyl-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-phenyl-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-phenyl-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide is O=C(Nc1ccc(F)cc1)C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1.
What is the InChIKey of N-(4-fluorophenyl)-2-phenyl-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide?
The InChIKey is HQJKUYVZWBSVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3S/c25-19-11-13-20(14-12-19)27-24(29)23(18-7-2-1-3-8-18)26-21-9-6-10-22(17-21)32(30,31)28-15-4-5-16-28/h1-3,6-14,17,23,26H,4-5,15-16H2,(H,27,29).
What are the key properties of N-(4-fluorophenyl)-2-phenyl-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide?
N-(4-fluorophenyl)-2-phenyl-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide has a molecular weight of 453.54 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-phenyl-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide is sourced from PubChem (CID 42911934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).