1-[2-[(2R)-2-phenylthiomorpholine-4-carbonyl]phenyl]ethanone

C19H19NO2S — CID 95930741

IUPAC1-[2-[(2R)-2-phenylthiomorpholine-4-carbonyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1C(=O)N1CCS[C@H](c2ccccc2)C1
InChIInChI=1S/C19H19NO2S/c1-14(21)16-9-5-6-10-17(16)19(22)20-11-12-23-18(13-20)15-7-3-2-4-8-15/h2-10,18H,11-13H2,1H3/t18-/m0/s1
InChIKeyYAHFPNIJUUVILA-SFHVURJKSA-N
MW325.43 g/mol
LogP3.82
Rot. Bonds3

About 1-[2-[(2R)-2-phenylthiomorpholine-4-carbonyl]phenyl]ethanone

1-[2-[(2R)-2-phenylthiomorpholine-4-carbonyl]phenyl]ethanone (PubChem CID 95930741) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-[2-[(2R)-2-phenylthiomorpholine-4-carbonyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(2R)-2-phenylthiomorpholine-4-carbonyl]phenyl]ethanone
PubChem CID95930741
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC Name1-[2-[(2R)-2-phenylthiomorpholine-4-carbonyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1C(=O)N1CCS[C@H](c2ccccc2)C1
InChIInChI=1S/C19H19NO2S/c1-14(21)16-9-5-6-10-17(16)19(22)20-11-12-23-18(13-20)15-7-3-2-4-8-15/h2-10,18H,11-13H2,1H3/t18-/m0/s1
InChIKeyYAHFPNIJUUVILA-SFHVURJKSA-N
XLogP3.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-phenylthiomorpholine-4-carboxylate
CID 15665878
1-(2-acetylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119353894
(2,5-dimethylfuran-3-yl)-[(7S)-7-phenyl-1,4-thiazepan-4-yl]methanone
CID 99903831
methyl 2-[(2S)-2-phenylthiomorpholin-4-yl]acetate
CID 95629932
1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]ethanone
CID 119483313
(5-methyl-1-phenylpyrazol-4-yl)-[(7R)-7-phenyl-1,4-thiazepan-4-yl]methanone
CID 99903755
1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]ethanone;hydrochloride
CID 120744819
1H-indol-3-yl-(7-phenyl-1,4-thiazepan-4-yl)methanone
CID 73169009
(5-bromo-2-chlorophenyl)-(7-phenyl-1,4-thiazepan-4-yl)methanone
CID 121163479
1-[2-[(3R)-3-(3-methylbutoxy)pyrrolidine-1-carbonyl]phenyl]ethanone
CID 96784337
2-(thiomorpholine-4-carbonyl)benzoic acid
CID 14298712
1-[4-(2-methylbenzoyl)-2-phenylpiperazin-1-yl]ethanone
CID 110109594

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-2-phenylthiomorpholine-4-carbonyl]phenyl]ethanone?
The IUPAC name of 1-[2-[(2R)-2-phenylthiomorpholine-4-carbonyl]phenyl]ethanone (CID 95930741) is 1-[2-[(2R)-2-phenylthiomorpholine-4-carbonyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[(2R)-2-phenylthiomorpholine-4-carbonyl]phenyl]ethanone?
The canonical SMILES for 1-[2-[(2R)-2-phenylthiomorpholine-4-carbonyl]phenyl]ethanone is CC(=O)c1ccccc1C(=O)N1CCS[C@H](c2ccccc2)C1.
What is the InChIKey of 1-[2-[(2R)-2-phenylthiomorpholine-4-carbonyl]phenyl]ethanone?
The InChIKey is YAHFPNIJUUVILA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19NO2S/c1-14(21)16-9-5-6-10-17(16)19(22)20-11-12-23-18(13-20)15-7-3-2-4-8-15/h2-10,18H,11-13H2,1H3/t18-/m0/s1.
What are the key properties of 1-[2-[(2R)-2-phenylthiomorpholine-4-carbonyl]phenyl]ethanone?
1-[2-[(2R)-2-phenylthiomorpholine-4-carbonyl]phenyl]ethanone has a molecular weight of 325.43 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-2-phenylthiomorpholine-4-carbonyl]phenyl]ethanone is sourced from PubChem (CID 95930741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).