(3R)-N-(2,4-difluorophenyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)morpholine-4-carboxamide

C17H21F2N3O3S — CID 95867228

IUPAC(3R)-N-(2,4-difluorophenyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)morpholine-4-carboxamide
SMILESO=C(C[C@@H]1COCCN1C(=O)Nc1ccc(F)cc1F)N1CCSCC1
InChIInChI=1S/C17H21F2N3O3S/c18-12-1-2-15(14(19)9-12)20-17(24)22-3-6-25-11-13(22)10-16(23)21-4-7-26-8-5-21/h1-2,9,13H,3-8,10-11H2,(H,20,24)/t13-/m1/s1
InChIKeyALFSAVGBHUBDFY-CYBMUJFWSA-N
MW385.44 g/mol
LogP2.16
Rot. Bonds3

About (3R)-N-(2,4-difluorophenyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)morpholine-4-carboxamide

(3R)-N-(2,4-difluorophenyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)morpholine-4-carboxamide (PubChem CID 95867228) has the molecular formula C17H21F2N3O3S and a molecular weight of 385.44 g/mol. Its IUPAC name is (3R)-N-(2,4-difluorophenyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2,4-difluorophenyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)morpholine-4-carboxamide
PubChem CID95867228
Molecular FormulaC17H21F2N3O3S
Molecular Weight385.44 g/mol
Exact Mass385.13
IUPAC Name(3R)-N-(2,4-difluorophenyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)morpholine-4-carboxamide
SMILESO=C(C[C@@H]1COCCN1C(=O)Nc1ccc(F)cc1F)N1CCSCC1
InChIInChI=1S/C17H21F2N3O3S/c18-12-1-2-15(14(19)9-12)20-17(24)22-3-6-25-11-13(22)10-16(23)21-4-7-26-8-5-21/h1-2,9,13H,3-8,10-11H2,(H,20,24)/t13-/m1/s1
InChIKeyALFSAVGBHUBDFY-CYBMUJFWSA-N
XLogP2.16
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-(2,4-difluorophenyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)morpholine-4-carboxamide with MolForge

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Related Compounds

2-[(3-ethylmorpholine-4-carbonyl)amino]-5-fluorobenzoic acid
CID 61201654
N-(2,4-difluorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 17425435
4-[(2,4-difluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82900784
2-[(3S)-4-(5-ethylthiophene-3-carbonyl)morpholin-3-yl]-1-thiomorpholin-4-ylethanone
CID 95880591
N-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide
CID 51307317
2-(2,4-difluoroanilino)-1-morpholin-4-ylethanone
CID 28582837
N-(2-chloro-4-fluorophenyl)-3-(hydroxymethyl)thiomorpholine-4-carboxamide
CID 75437498
3-(3,4-difluorophenyl)-1-[(3R)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]morpholin-4-yl]propan-1-one
CID 95882908
(2S)-N-(2,4-difluorophenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7415351
2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 66444323
(3R)-N-(2-chloro-4-fluoro-5-methylphenyl)-3-(hydroxymethyl)morpholine-4-carboxamide
CID 125169396
N-(2,4-difluorophenyl)-5-(morpholine-4-carbonyl)-2-phenylpiperidine-1-carboxamide
CID 42849549

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,4-difluorophenyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)morpholine-4-carboxamide?
The IUPAC name of (3R)-N-(2,4-difluorophenyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)morpholine-4-carboxamide (CID 95867228) is (3R)-N-(2,4-difluorophenyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)morpholine-4-carboxamide.
What is the SMILES notation for (3R)-N-(2,4-difluorophenyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)morpholine-4-carboxamide?
The canonical SMILES for (3R)-N-(2,4-difluorophenyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)morpholine-4-carboxamide is O=C(C[C@@H]1COCCN1C(=O)Nc1ccc(F)cc1F)N1CCSCC1.
What is the InChIKey of (3R)-N-(2,4-difluorophenyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)morpholine-4-carboxamide?
The InChIKey is ALFSAVGBHUBDFY-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21F2N3O3S/c18-12-1-2-15(14(19)9-12)20-17(24)22-3-6-25-11-13(22)10-16(23)21-4-7-26-8-5-21/h1-2,9,13H,3-8,10-11H2,(H,20,24)/t13-/m1/s1.
What are the key properties of (3R)-N-(2,4-difluorophenyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)morpholine-4-carboxamide?
(3R)-N-(2,4-difluorophenyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)morpholine-4-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,4-difluorophenyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)morpholine-4-carboxamide is sourced from PubChem (CID 95867228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).