3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide

C24H28F3N3O3S — CID 16567480

IUPAC3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cc(C(F)(F)F)ccc1N1CCCC1
InChIInChI=1S/C24H28F3N3O3S/c25-24(26,27)19-8-11-22(29-13-1-2-14-29)21(17-19)28-23(31)12-7-18-5-9-20(10-6-18)34(32,33)30-15-3-4-16-30/h5-6,8-11,17H,1-4,7,12-16H2,(H,28,31)
InChIKeyUBFLJDITXVXFEO-UHFFFAOYSA-N
MW495.57 g/mol
LogP4.66
Rot. Bonds7

About 3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide

3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 16567480) has the molecular formula C24H28F3N3O3S and a molecular weight of 495.57 g/mol. Its IUPAC name is 3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide
PubChem CID16567480
Molecular FormulaC24H28F3N3O3S
Molecular Weight495.57 g/mol
Exact Mass495.18
IUPAC Name3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cc(C(F)(F)F)ccc1N1CCCC1
InChIInChI=1S/C24H28F3N3O3S/c25-24(26,27)19-8-11-22(29-13-1-2-14-29)21(17-19)28-23(31)12-7-18-5-9-20(10-6-18)34(32,33)30-15-3-4-16-30/h5-6,8-11,17H,1-4,7,12-16H2,(H,28,31)
InChIKeyUBFLJDITXVXFEO-UHFFFAOYSA-N
XLogP4.66
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.57
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24506070
N-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 32621375
3-(4-piperidin-1-ylsulfonylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 27052389
N-(2,5-difluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27444998
N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 46687839
methyl 4-oxo-4-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]butanoate
CID 108808751
3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,3,4-trifluorophenyl)propanamide
CID 27444974
1-(benzenesulfonyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 60550897
2-(4-aminophenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828224
2-(4-acetamidophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16561278
N-(4-bromo-2-chlorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24505995
2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119830300

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide (CID 16567480) is 3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cc(C(F)(F)F)ccc1N1CCCC1.
What is the InChIKey of 3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is UBFLJDITXVXFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O3S/c25-24(26,27)19-8-11-22(29-13-1-2-14-29)21(17-19)28-23(31)12-7-18-5-9-20(10-6-18)34(32,33)30-15-3-4-16-30/h5-6,8-11,17H,1-4,7,12-16H2,(H,28,31).
What are the key properties of 3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide?
3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 495.57 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 16567480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).