(2S)-3,3-bis(4-fluorophenyl)-2-[3-fluoro-2-[2-[(2R,6S)-6-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]morpholin-2-yl]ethyl]anilino]propanamide

C35H33F3N6O3S — CID 130274537

IUPAC(2S)-3,3-bis(4-fluorophenyl)-2-[3-fluoro-2-[2-[(2R,6S)-6-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]morpholin-2-yl]ethyl]anilino]propanamide
SMILESNC(=O)[C@@H](Nc1cccc(F)c1CC[C@@H]1CNC[C@@H](CSc2nnc(-c3ccncc3)o2)O1)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C35H33F3N6O3S/c36-24-8-4-21(5-9-24)31(22-6-10-25(37)11-7-22)32(33(39)45)42-30-3-1-2-29(38)28(30)13-12-26-18-41-19-27(46-26)20-48-35-44-43-34(47-35)23-14-16-40-17-15-23/h1-11,14-17,26-27,31-32,41-42H,12-13,18-20H2,(H2,39,45)/t26-,27+,32+/m1/s1
InChIKeyBHVLGMXGDVOSIQ-CUJVHAHTSA-N
MW674.75 g/mol
LogP5.73
Rot. Bonds13

About (2S)-3,3-bis(4-fluorophenyl)-2-[3-fluoro-2-[2-[(2R,6S)-6-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]morpholin-2-yl]ethyl]anilino]propanamide

(2S)-3,3-bis(4-fluorophenyl)-2-[3-fluoro-2-[2-[(2R,6S)-6-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]morpholin-2-yl]ethyl]anilino]propanamide (PubChem CID 130274537) has the molecular formula C35H33F3N6O3S and a molecular weight of 674.75 g/mol. Its IUPAC name is (2S)-3,3-bis(4-fluorophenyl)-2-[3-fluoro-2-[2-[(2R,6S)-6-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]morpholin-2-yl]ethyl]anilino]propanamide.

Molecular Properties

Compound Name(2S)-3,3-bis(4-fluorophenyl)-2-[3-fluoro-2-[2-[(2R,6S)-6-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]morpholin-2-yl]ethyl]anilino]propanamide
PubChem CID130274537
Molecular FormulaC35H33F3N6O3S
Molecular Weight674.75 g/mol
Exact Mass674.23
IUPAC Name(2S)-3,3-bis(4-fluorophenyl)-2-[3-fluoro-2-[2-[(2R,6S)-6-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]morpholin-2-yl]ethyl]anilino]propanamide
SMILESNC(=O)[C@@H](Nc1cccc(F)c1CC[C@@H]1CNC[C@@H](CSc2nnc(-c3ccncc3)o2)O1)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C35H33F3N6O3S/c36-24-8-4-21(5-9-24)31(22-6-10-25(37)11-7-22)32(33(39)45)42-30-3-1-2-29(38)28(30)13-12-26-18-41-19-27(46-26)20-48-35-44-43-34(47-35)23-14-16-40-17-15-23/h1-11,14-17,26-27,31-32,41-42H,12-13,18-20H2,(H2,39,45)/t26-,27+,32+/m1/s1
InChIKeyBHVLGMXGDVOSIQ-CUJVHAHTSA-N
XLogP5.73
TPSA128.19 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.75
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2S)-3,3-bis(4-fluorophenyl)-2-[3-fluoro-2-[2-[(2R,6S)-6-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]morpholin-2-yl]ethyl]anilino]propanamide 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

tert-butyl (2R,6S)-2-[2-[2-[[3,3-bis(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-6-fluorophenyl]ethyl]-6-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]morpholine-4-carboxylate
CID 130276480
[(2S,6R)-6-[2-[3-[[(2S)-1-amino-3,3-bis(4-fluorophenyl)-1-oxopropan-2-yl]amino]-5-fluoro-4-pyridinyl]ethyl]morpholin-2-yl]methyl N-[(4-fluorophenyl)methyl]carbamate
CID 130274630
[(2S,6R)-6-[2-[3-[[(2S)-1-amino-3,3-bis(4-fluorophenyl)-1-oxopropan-2-yl]amino]-5-fluoro-4-pyridinyl]ethyl]morpholin-2-yl]methyl N-(6-methyl-3-pyridinyl)carbamate
CID 130274545
[6-[2-[2-[[2-(methoxycarbonylamino)-3,3-diphenylpropanoyl]amino]phenyl]ethyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]morpholin-3-yl]methyl acetate
CID 123266216
(2S)-2-[[4-[2-[(2R,6R)-6-[[2-(3,5-dimethylpyrazol-1-yl)ethylamino]methyl]morpholin-2-yl]ethyl]-5-fluoro-3-pyridinyl]amino]-3,3-bis(4-fluorophenyl)propanamide
CID 130276332
methyl N-[(2S)-1-oxo-3,3-diphenyl-1-[2-[2-[(2R,5R,6S)-5-(phenylmethoxymethyl)-6-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]morpholin-2-yl]ethyl]anilino]propan-2-yl]carbamate
CID 118187667
[(2S,3R,6R)-6-[2-[3-[[(2S)-1-amino-3,3-bis(4-fluorophenyl)-1-oxopropan-2-yl]amino]-5-fluoro-4-pyridinyl]ethyl]-2-methylmorpholin-3-yl]methyl N-(2,2,2-trifluoroethyl)carbamate
CID 122638898
(2S)-2-[2-[2-[(2S,6R)-1-cyclopropylsulfonyl-6-methylpiperazin-2-yl]ethyl]-3-fluoroanilino]-3,3-bis(3-fluorophenyl)propanamide
CID 121377958
N-(2,4-difluorophenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4281733
(3S)-3-(3,5-difluorophenyl)-N-[3-fluoro-2-[2-[(2R,6S)-6-methylmorpholin-2-yl]ethyl]phenyl]-3-(4-fluorophenyl)propanamide
CID 118356527
(3S)-3-amino-1-[5-fluoro-4-[2-[(2R,6S)-6-(hydroxymethyl)morpholin-2-yl]ethyl]-3-pyridinyl]-4,4-bis(4-fluorophenyl)butan-2-one
CID 159480599
(2S)-N-[(4-fluorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 92736148

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-bis(4-fluorophenyl)-2-[3-fluoro-2-[2-[(2R,6S)-6-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]morpholin-2-yl]ethyl]anilino]propanamide?
The IUPAC name of (2S)-3,3-bis(4-fluorophenyl)-2-[3-fluoro-2-[2-[(2R,6S)-6-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]morpholin-2-yl]ethyl]anilino]propanamide (CID 130274537) is (2S)-3,3-bis(4-fluorophenyl)-2-[3-fluoro-2-[2-[(2R,6S)-6-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]morpholin-2-yl]ethyl]anilino]propanamide.
What is the SMILES notation for (2S)-3,3-bis(4-fluorophenyl)-2-[3-fluoro-2-[2-[(2R,6S)-6-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]morpholin-2-yl]ethyl]anilino]propanamide?
The canonical SMILES for (2S)-3,3-bis(4-fluorophenyl)-2-[3-fluoro-2-[2-[(2R,6S)-6-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]morpholin-2-yl]ethyl]anilino]propanamide is NC(=O)[C@@H](Nc1cccc(F)c1CC[C@@H]1CNC[C@@H](CSc2nnc(-c3ccncc3)o2)O1)C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of (2S)-3,3-bis(4-fluorophenyl)-2-[3-fluoro-2-[2-[(2R,6S)-6-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]morpholin-2-yl]ethyl]anilino]propanamide?
The InChIKey is BHVLGMXGDVOSIQ-CUJVHAHTSA-N. The full InChI is InChI=1S/C35H33F3N6O3S/c36-24-8-4-21(5-9-24)31(22-6-10-25(37)11-7-22)32(33(39)45)42-30-3-1-2-29(38)28(30)13-12-26-18-41-19-27(46-26)20-48-35-44-43-34(47-35)23-14-16-40-17-15-23/h1-11,14-17,26-27,31-32,41-42H,12-13,18-20H2,(H2,39,45)/t26-,27+,32+/m1/s1.
What are the key properties of (2S)-3,3-bis(4-fluorophenyl)-2-[3-fluoro-2-[2-[(2R,6S)-6-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]morpholin-2-yl]ethyl]anilino]propanamide?
(2S)-3,3-bis(4-fluorophenyl)-2-[3-fluoro-2-[2-[(2R,6S)-6-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]morpholin-2-yl]ethyl]anilino]propanamide has a molecular weight of 674.75 g/mol, XLogP of 5.73, 13 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-bis(4-fluorophenyl)-2-[3-fluoro-2-[2-[(2R,6S)-6-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]morpholin-2-yl]ethyl]anilino]propanamide is sourced from PubChem (CID 130274537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).