(2S)-1-morpholin-4-yl-2-[(5-phenyl-1H-imidazol-2-yl)sulfonyl]propan-1-one

C16H19N3O4S — CID 95592004

IUPAC(2S)-1-morpholin-4-yl-2-[(5-phenyl-1H-imidazol-2-yl)sulfonyl]propan-1-one
SMILESC[C@@H](C(=O)N1CCOCC1)S(=O)(=O)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C16H19N3O4S/c1-12(15(20)19-7-9-23-10-8-19)24(21,22)16-17-11-14(18-16)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyKKOVWEFWNPLUAP-LBPRGKRZSA-N
MW349.41 g/mol
LogP1.10
Rot. Bonds4

About (2S)-1-morpholin-4-yl-2-[(5-phenyl-1H-imidazol-2-yl)sulfonyl]propan-1-one

(2S)-1-morpholin-4-yl-2-[(5-phenyl-1H-imidazol-2-yl)sulfonyl]propan-1-one (PubChem CID 95592004) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is (2S)-1-morpholin-4-yl-2-[(5-phenyl-1H-imidazol-2-yl)sulfonyl]propan-1-one.

Molecular Properties

Compound Name(2S)-1-morpholin-4-yl-2-[(5-phenyl-1H-imidazol-2-yl)sulfonyl]propan-1-one
PubChem CID95592004
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name(2S)-1-morpholin-4-yl-2-[(5-phenyl-1H-imidazol-2-yl)sulfonyl]propan-1-one
SMILESC[C@@H](C(=O)N1CCOCC1)S(=O)(=O)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C16H19N3O4S/c1-12(15(20)19-7-9-23-10-8-19)24(21,22)16-17-11-14(18-16)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyKKOVWEFWNPLUAP-LBPRGKRZSA-N
XLogP1.10
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-morpholin-4-yl-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]butan-1-one
CID 71898701
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CID 61367612
2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfonylpropanoic acid
CID 43117070
(2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one
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CID 97257375
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-2-phenylbenzenesulfonamide
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(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
1-morpholin-4-yl-2-[4-[2-(4-phenylphenoxy)propanoyl]piperazin-1-yl]ethane-1,2-dione
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1-morpholin-4-yl-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 84602533
(2R)-1-morpholin-4-yl-2-(6-phenylpyrimidin-4-yl)sulfanylpropan-1-one
CID 42345635
2-(4-amino-3-chlorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
CID 81201911
N-(5-phenyl-1H-pyrazol-3-yl)morpholine-4-carboxamide
CID 110868204

Frequently Asked Questions

What is the IUPAC name of (2S)-1-morpholin-4-yl-2-[(5-phenyl-1H-imidazol-2-yl)sulfonyl]propan-1-one?
The IUPAC name of (2S)-1-morpholin-4-yl-2-[(5-phenyl-1H-imidazol-2-yl)sulfonyl]propan-1-one (CID 95592004) is (2S)-1-morpholin-4-yl-2-[(5-phenyl-1H-imidazol-2-yl)sulfonyl]propan-1-one.
What is the SMILES notation for (2S)-1-morpholin-4-yl-2-[(5-phenyl-1H-imidazol-2-yl)sulfonyl]propan-1-one?
The canonical SMILES for (2S)-1-morpholin-4-yl-2-[(5-phenyl-1H-imidazol-2-yl)sulfonyl]propan-1-one is C[C@@H](C(=O)N1CCOCC1)S(=O)(=O)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of (2S)-1-morpholin-4-yl-2-[(5-phenyl-1H-imidazol-2-yl)sulfonyl]propan-1-one?
The InChIKey is KKOVWEFWNPLUAP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-12(15(20)19-7-9-23-10-8-19)24(21,22)16-17-11-14(18-16)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-1-morpholin-4-yl-2-[(5-phenyl-1H-imidazol-2-yl)sulfonyl]propan-1-one?
(2S)-1-morpholin-4-yl-2-[(5-phenyl-1H-imidazol-2-yl)sulfonyl]propan-1-one has a molecular weight of 349.41 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-morpholin-4-yl-2-[(5-phenyl-1H-imidazol-2-yl)sulfonyl]propan-1-one is sourced from PubChem (CID 95592004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).