N-[(3R,4R)-1-(benzenesulfonyl)-3-fluoropiperidin-4-yl]-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide

C28H28ClFN2O5S — CID 142457807

IUPACN-[(3R,4R)-1-(benzenesulfonyl)-3-fluoropiperidin-4-yl]-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)N[C@@H]1CCN(S(=O)(=O)c2ccccc2)C[C@H]1F
InChIInChI=1S/C28H28ClFN2O5S/c1-28(2,37-22-14-10-20(11-15-22)26(33)19-8-12-21(29)13-9-19)27(34)31-25-16-17-32(18-24(25)30)38(35,36)23-6-4-3-5-7-23/h3-15,24-25H,16-18H2,1-2H3,(H,31,34)/t24-,25-/m1/s1
InChIKeyLXPWOZHXAVBAHB-JWQCQUIFSA-N
MW559.06 g/mol
LogP4.65
Rot. Bonds8

About N-[(3R,4R)-1-(benzenesulfonyl)-3-fluoropiperidin-4-yl]-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide

N-[(3R,4R)-1-(benzenesulfonyl)-3-fluoropiperidin-4-yl]-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide (PubChem CID 142457807) has the molecular formula C28H28ClFN2O5S and a molecular weight of 559.06 g/mol. Its IUPAC name is N-[(3R,4R)-1-(benzenesulfonyl)-3-fluoropiperidin-4-yl]-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-(benzenesulfonyl)-3-fluoropiperidin-4-yl]-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide
PubChem CID142457807
Molecular FormulaC28H28ClFN2O5S
Molecular Weight559.06 g/mol
Exact Mass558.14
IUPAC NameN-[(3R,4R)-1-(benzenesulfonyl)-3-fluoropiperidin-4-yl]-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)N[C@@H]1CCN(S(=O)(=O)c2ccccc2)C[C@H]1F
InChIInChI=1S/C28H28ClFN2O5S/c1-28(2,37-22-14-10-20(11-15-22)26(33)19-8-12-21(29)13-9-19)27(34)31-25-16-17-32(18-24(25)30)38(35,36)23-6-4-3-5-7-23/h3-15,24-25H,16-18H2,1-2H3,(H,31,34)/t24-,25-/m1/s1
InChIKeyLXPWOZHXAVBAHB-JWQCQUIFSA-N
XLogP4.65
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.06
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4R)-1-(benzenesulfonyl)-3-fluoropiperidin-4-yl]-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-chlorobenzoyl)phenoxy]-N-[(3R,4R)-3-fluoro-1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylpropanamide
CID 142457562
2-(3,4-difluorophenoxy)-N-[(3R,4R)-3-fluoro-1-(4-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-2-methylpropanamide
CID 142457971
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 171343772
2-(4-chlorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 25236105
tert-butyl N-[(3S)-1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]carbamate
CID 129375288
2-(4-chlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpropanamide
CID 17321010
(1,3-dioxoisoindol-2-yl) 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
CID 168720333
tert-butyl N-[(3R,4R)-3-fluoro-1-pyridin-2-ylsulfonylpiperidin-4-yl]carbamate
CID 176655631
2-(4-chlorophenoxy)-N-(2,3-dihydro-1H-inden-1-yl)-2-methylpropanamide
CID 18133622
2-(4-fluorophenoxy)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 86923726
N'-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]-2-hydroxybenzohydrazide
CID 154646166
N-(2-aminoethyl)-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide
CID 58219036

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-(benzenesulfonyl)-3-fluoropiperidin-4-yl]-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide?
The IUPAC name of N-[(3R,4R)-1-(benzenesulfonyl)-3-fluoropiperidin-4-yl]-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide (CID 142457807) is N-[(3R,4R)-1-(benzenesulfonyl)-3-fluoropiperidin-4-yl]-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide.
What is the SMILES notation for N-[(3R,4R)-1-(benzenesulfonyl)-3-fluoropiperidin-4-yl]-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide?
The canonical SMILES for N-[(3R,4R)-1-(benzenesulfonyl)-3-fluoropiperidin-4-yl]-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide is CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)N[C@@H]1CCN(S(=O)(=O)c2ccccc2)C[C@H]1F.
What is the InChIKey of N-[(3R,4R)-1-(benzenesulfonyl)-3-fluoropiperidin-4-yl]-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide?
The InChIKey is LXPWOZHXAVBAHB-JWQCQUIFSA-N. The full InChI is InChI=1S/C28H28ClFN2O5S/c1-28(2,37-22-14-10-20(11-15-22)26(33)19-8-12-21(29)13-9-19)27(34)31-25-16-17-32(18-24(25)30)38(35,36)23-6-4-3-5-7-23/h3-15,24-25H,16-18H2,1-2H3,(H,31,34)/t24-,25-/m1/s1.
What are the key properties of N-[(3R,4R)-1-(benzenesulfonyl)-3-fluoropiperidin-4-yl]-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide?
N-[(3R,4R)-1-(benzenesulfonyl)-3-fluoropiperidin-4-yl]-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide has a molecular weight of 559.06 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-(benzenesulfonyl)-3-fluoropiperidin-4-yl]-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide is sourced from PubChem (CID 142457807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).