4-[2-methyl-5-(4-phenyl-1H-pyrrol-3-yl)phenyl]sulfinylmorpholine

C21H22N2O2S — CID 167108954

IUPAC4-[2-methyl-5-(4-phenyl-1H-pyrrol-3-yl)phenyl]sulfinylmorpholine
SMILESCc1ccc(-c2c[nH]cc2-c2ccccc2)cc1S(=O)N1CCOCC1
InChIInChI=1S/C21H22N2O2S/c1-16-7-8-18(13-21(16)26(24)23-9-11-25-12-10-23)20-15-22-14-19(20)17-5-3-2-4-6-17/h2-8,13-15,22H,9-12H2,1H3
InChIKeyDJCAEUKRTAYNNV-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.01
Rot. Bonds4

About 4-[2-methyl-5-(4-phenyl-1H-pyrrol-3-yl)phenyl]sulfinylmorpholine

4-[2-methyl-5-(4-phenyl-1H-pyrrol-3-yl)phenyl]sulfinylmorpholine (PubChem CID 167108954) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 4-[2-methyl-5-(4-phenyl-1H-pyrrol-3-yl)phenyl]sulfinylmorpholine.

Molecular Properties

Compound Name4-[2-methyl-5-(4-phenyl-1H-pyrrol-3-yl)phenyl]sulfinylmorpholine
PubChem CID167108954
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name4-[2-methyl-5-(4-phenyl-1H-pyrrol-3-yl)phenyl]sulfinylmorpholine
SMILESCc1ccc(-c2c[nH]cc2-c2ccccc2)cc1S(=O)N1CCOCC1
InChIInChI=1S/C21H22N2O2S/c1-16-7-8-18(13-21(16)26(24)23-9-11-25-12-10-23)20-15-22-14-19(20)17-5-3-2-4-6-17/h2-8,13-15,22H,9-12H2,1H3
InChIKeyDJCAEUKRTAYNNV-UHFFFAOYSA-N
XLogP4.01
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-methyl-5-(5-phenyl-1H-imidazol-2-yl)phenyl]sulfinylmorpholine
CID 167108894
5-(4-fluorophenyl)-1-methyl-N-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazole-4-carboxamide
CID 143451850
3-[(4-methyl-3-morpholin-4-ylsulfinylphenyl)sulfamoyl]benzoic acid
CID 135242432
N-[1-[2-[4-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazol-1-yl]ethyl]piperidin-4-yl]acetamide
CID 167108895
4-[5-(4-methylphenyl)sulfinyl-3-phenylfuran-2-yl]morpholine
CID 5325334
4-[2-methyl-5-(5-phenylfuran-3-yl)phenyl]sulfonylmorpholine
CID 163403584
5-(morpholine-4-carbonyl)-4-phenyl-1H-pyridin-2-one
CID 134211396
2-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]benzoic acid
CID 166265933
5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile
CID 59338811
4-[2-methyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylmorpholine
CID 163403555
1,1'-biphenyl;ethane;4-phenylmorpholine;toluene
CID 158356993
5-methyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine
CID 13218688

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-5-(4-phenyl-1H-pyrrol-3-yl)phenyl]sulfinylmorpholine?
The IUPAC name of 4-[2-methyl-5-(4-phenyl-1H-pyrrol-3-yl)phenyl]sulfinylmorpholine (CID 167108954) is 4-[2-methyl-5-(4-phenyl-1H-pyrrol-3-yl)phenyl]sulfinylmorpholine.
What is the SMILES notation for 4-[2-methyl-5-(4-phenyl-1H-pyrrol-3-yl)phenyl]sulfinylmorpholine?
The canonical SMILES for 4-[2-methyl-5-(4-phenyl-1H-pyrrol-3-yl)phenyl]sulfinylmorpholine is Cc1ccc(-c2c[nH]cc2-c2ccccc2)cc1S(=O)N1CCOCC1.
What is the InChIKey of 4-[2-methyl-5-(4-phenyl-1H-pyrrol-3-yl)phenyl]sulfinylmorpholine?
The InChIKey is DJCAEUKRTAYNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-16-7-8-18(13-21(16)26(24)23-9-11-25-12-10-23)20-15-22-14-19(20)17-5-3-2-4-6-17/h2-8,13-15,22H,9-12H2,1H3.
What are the key properties of 4-[2-methyl-5-(4-phenyl-1H-pyrrol-3-yl)phenyl]sulfinylmorpholine?
4-[2-methyl-5-(4-phenyl-1H-pyrrol-3-yl)phenyl]sulfinylmorpholine has a molecular weight of 366.49 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-5-(4-phenyl-1H-pyrrol-3-yl)phenyl]sulfinylmorpholine is sourced from PubChem (CID 167108954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).