N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

C23H26F3N3O4S — CID 46687839

IUPACN-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C23H26F3N3O4S/c1-16(30)27-18-8-11-21(20(15-18)23(24,25)26)28-22(31)12-7-17-5-9-19(10-6-17)34(32,33)29-13-3-2-4-14-29/h5-6,8-11,15H,2-4,7,12-14H2,1H3,(H,27,30)(H,28,31)
InChIKeyQHBCEOJDFQDQIY-UHFFFAOYSA-N
MW497.54 g/mol
LogP4.41
Rot. Bonds7

About N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 46687839) has the molecular formula C23H26F3N3O4S and a molecular weight of 497.54 g/mol. Its IUPAC name is N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID46687839
Molecular FormulaC23H26F3N3O4S
Molecular Weight497.54 g/mol
Exact Mass497.16
IUPAC NameN-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C23H26F3N3O4S/c1-16(30)27-18-8-11-21(20(15-18)23(24,25)26)28-22(31)12-7-17-5-9-19(10-6-17)34(32,33)29-13-3-2-4-14-29/h5-6,8-11,15H,2-4,7,12-14H2,1H3,(H,27,30)(H,28,31)
InChIKeyQHBCEOJDFQDQIY-UHFFFAOYSA-N
XLogP4.41
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.54
LogP ≤ 54.41
H-Bond Donors ≤ 52
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-acetamidoethyl)-3-[4-(azepan-1-ylsulfonyl)phenyl]propanamide
CID 9204753
3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide
CID 16567480
N-(3-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9244621
3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,3,4-trifluorophenyl)propanamide
CID 27444974
N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87024241
4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N-ethylbenzamide
CID 55802239
N-(2-hydroxy-5-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 60561901
N-(2,5-difluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27444998
3-(4-piperidin-1-ylsulfonylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 27052389
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-benzodioxol-5-yl)propanamide
CID 17473344
N-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27700420

Frequently Asked Questions

What is the IUPAC name of N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 46687839) is N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is CC(=O)Nc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is QHBCEOJDFQDQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O4S/c1-16(30)27-18-8-11-21(20(15-18)23(24,25)26)28-22(31)12-7-17-5-9-19(10-6-17)34(32,33)29-13-3-2-4-14-29/h5-6,8-11,15H,2-4,7,12-14H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 497.54 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 46687839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).