2-benzhydrylsulfanyl-1-morpholin-4-ylethanone

C19H21NO2S — CID 4089685

IUPAC2-benzhydrylsulfanyl-1-morpholin-4-ylethanone
SMILESO=C(CSC(c1ccccc1)c1ccccc1)N1CCOCC1
InChIInChI=1S/C19H21NO2S/c21-18(20-11-13-22-14-12-20)15-23-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,19H,11-15H2
InChIKeyBSTVFRIIORPHCJ-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.37
Rot. Bonds5

About 2-benzhydrylsulfanyl-1-morpholin-4-ylethanone

2-benzhydrylsulfanyl-1-morpholin-4-ylethanone (PubChem CID 4089685) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-benzhydrylsulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-benzhydrylsulfanyl-1-morpholin-4-ylethanone
PubChem CID4089685
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name2-benzhydrylsulfanyl-1-morpholin-4-ylethanone
SMILESO=C(CSC(c1ccccc1)c1ccccc1)N1CCOCC1
InChIInChI=1S/C19H21NO2S/c21-18(20-11-13-22-14-12-20)15-23-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,19H,11-15H2
InChIKeyBSTVFRIIORPHCJ-UHFFFAOYSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid
CID 82133442
N-(2-morpholin-4-yl-2-oxoethyl)-2,2-diphenylacetamide
CID 110712346
2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 56827835
(3R)-3-(4-chlorophenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 26317426
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone
CID 52990905
N-(2,2-dimethyl-1-phenylpropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 60568639
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 119414300
1-morpholin-4-yl-2-[(R)-[(1S)-1-phenylpropyl]sulfinyl]ethanone
CID 97223531
3-anilino-1-morpholin-4-yl-3-phenylpropan-1-one
CID 13116197
(3R)-3-(furan-2-yl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 948351
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
3-morpholin-4-yl-3-oxo-2-phenylpropanoic acid
CID 102537714

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylsulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-benzhydrylsulfanyl-1-morpholin-4-ylethanone (CID 4089685) is 2-benzhydrylsulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-benzhydrylsulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-benzhydrylsulfanyl-1-morpholin-4-ylethanone is O=C(CSC(c1ccccc1)c1ccccc1)N1CCOCC1.
What is the InChIKey of 2-benzhydrylsulfanyl-1-morpholin-4-ylethanone?
The InChIKey is BSTVFRIIORPHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c21-18(20-11-13-22-14-12-20)15-23-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,19H,11-15H2.
What are the key properties of 2-benzhydrylsulfanyl-1-morpholin-4-ylethanone?
2-benzhydrylsulfanyl-1-morpholin-4-ylethanone has a molecular weight of 327.45 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylsulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 4089685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).