N-[(2R)-1-(2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide

C20H22FN3O2S — CID 95395467

IUPACN-[(2R)-1-(2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide
SMILESO=C(Nc1ccccc1F)[C@@H](Cc1ccccc1)NC(=O)N1CCSCC1
InChIInChI=1S/C20H22FN3O2S/c21-16-8-4-5-9-17(16)22-19(25)18(14-15-6-2-1-3-7-15)23-20(26)24-10-12-27-13-11-24/h1-9,18H,10-14H2,(H,22,25)(H,23,26)/t18-/m1/s1
InChIKeyWOXIEAIFCKHBQL-GOSISDBHSA-N
MW387.48 g/mol
LogP3.13
Rot. Bonds5

About N-[(2R)-1-(2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide

N-[(2R)-1-(2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide (PubChem CID 95395467) has the molecular formula C20H22FN3O2S and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[(2R)-1-(2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide
PubChem CID95395467
Molecular FormulaC20H22FN3O2S
Molecular Weight387.48 g/mol
Exact Mass387.14
IUPAC NameN-[(2R)-1-(2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide
SMILESO=C(Nc1ccccc1F)[C@@H](Cc1ccccc1)NC(=O)N1CCSCC1
InChIInChI=1S/C20H22FN3O2S/c21-16-8-4-5-9-17(16)22-19(25)18(14-15-6-2-1-3-7-15)23-20(26)24-10-12-27-13-11-24/h1-9,18H,10-14H2,(H,22,25)(H,23,26)/t18-/m1/s1
InChIKeyWOXIEAIFCKHBQL-GOSISDBHSA-N
XLogP3.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-N-(2-fluorophenyl)-3-phenylpropanamide
CID 18161294
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CID 53368263
N-(1,2-diphenylethyl)-1,4-thiazepane-4-carboxamide
CID 87000158
(2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoic acid
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(2R)-2-(azepane-1-carbonylamino)-3-phenylpropanoic acid
CID 104901968
N-(2-fluorophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 15998707
2-(carbamoylamino)-N-(2,4-difluorophenyl)-3-phenylpropanamide
CID 18160928
N-[(2S)-1-(2-fluoroanilino)-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide
CID 56786314
(2S)-N-(2-chlorophenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 55937511
N-[(2S)-1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylpiperazine-1-carboxamide
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N-(2-fluorophenyl)-3-thiomorpholin-4-ylpropanamide
CID 91843372
N-[1-(1,3-benzothiazol-2-ylamino)-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 75605443

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[(2R)-1-(2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide (CID 95395467) is N-[(2R)-1-(2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-(2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[(2R)-1-(2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide is O=C(Nc1ccccc1F)[C@@H](Cc1ccccc1)NC(=O)N1CCSCC1.
What is the InChIKey of N-[(2R)-1-(2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide?
The InChIKey is WOXIEAIFCKHBQL-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22FN3O2S/c21-16-8-4-5-9-17(16)22-19(25)18(14-15-6-2-1-3-7-15)23-20(26)24-10-12-27-13-11-24/h1-9,18H,10-14H2,(H,22,25)(H,23,26)/t18-/m1/s1.
What are the key properties of N-[(2R)-1-(2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide?
N-[(2R)-1-(2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 95395467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).