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

C22H26F3N3O3S — CID 24506070

IUPACN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCN(C)c1ccc(C(F)(F)F)cc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C22H26F3N3O3S/c1-27(2)20-11-8-17(22(23,24)25)15-19(20)26-21(29)12-7-16-5-9-18(10-6-16)32(30,31)28-13-3-4-14-28/h5-6,8-11,15H,3-4,7,12-14H2,1-2H3,(H,26,29)
InChIKeyLNCKOBBUNPXXRG-UHFFFAOYSA-N
MW469.53 g/mol
LogP4.13
Rot. Bonds7

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

N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 24506070) has the molecular formula C22H26F3N3O3S and a molecular weight of 469.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID24506070
Molecular FormulaC22H26F3N3O3S
Molecular Weight469.53 g/mol
Exact Mass469.16
IUPAC NameN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCN(C)c1ccc(C(F)(F)F)cc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C22H26F3N3O3S/c1-27(2)20-11-8-17(22(23,24)25)15-19(20)26-21(29)12-7-16-5-9-18(10-6-16)32(30,31)28-13-3-4-14-28/h5-6,8-11,15H,3-4,7,12-14H2,1-2H3,(H,26,29)
InChIKeyLNCKOBBUNPXXRG-UHFFFAOYSA-N
XLogP4.13
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide
CID 16567480
3-(4-piperidin-1-ylsulfonylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 27052389
N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 46687839
N-(2,5-difluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27444998
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(furan-2-yl)propanamide
CID 33297922
3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,3,4-trifluorophenyl)propanamide
CID 27444974
N-(2-hydroxy-5-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 60561901
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 112766856
N-(4-bromo-2-chlorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24505995
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55605980
N-(2,6-dimethylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 16567459
N-(5-bromo-2-methoxyphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 60540334

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 24506070) is N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is CN(C)c1ccc(C(F)(F)F)cc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is LNCKOBBUNPXXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O3S/c1-27(2)20-11-8-17(22(23,24)25)15-19(20)26-21(29)12-7-16-5-9-18(10-6-16)32(30,31)28-13-3-4-14-28/h5-6,8-11,15H,3-4,7,12-14H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 469.53 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 24506070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).