4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide

C20H24N2O2S — CID 9149987

IUPAC4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
SMILESCSc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O2S/c1-25-18-9-7-17(8-10-18)20(23)21-19(16-5-3-2-4-6-16)15-22-11-13-24-14-12-22/h2-10,19H,11-15H2,1H3,(H,21,23)/t19-/m0/s1
InChIKeyKYSYKIPOXZTFMS-IBGZPJMESA-N
MW356.49 g/mol
LogP3.21
Rot. Bonds6

About 4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide

4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide (PubChem CID 9149987) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
PubChem CID9149987
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
SMILESCSc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O2S/c1-25-18-9-7-17(8-10-18)20(23)21-19(16-5-3-2-4-6-16)15-22-11-13-24-14-12-22/h2-10,19H,11-15H2,1H3,(H,21,23)/t19-/m0/s1
InChIKeyKYSYKIPOXZTFMS-IBGZPJMESA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166742
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
4-(acetamidomethyl)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166767
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
4-(benzenesulfonamido)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31429984
4-[methyl(phenyl)sulfamoyl]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31444660
2-fluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149743
4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31397272
2-hydroxy-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 86918289
2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9149582
5-bromo-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyridine-3-carboxamide
CID 9148597
4-bromo-3,5-dimethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485450

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide?
The IUPAC name of 4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide (CID 9149987) is 4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide.
What is the SMILES notation for 4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide?
The canonical SMILES for 4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide is CSc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of 4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide?
The InChIKey is KYSYKIPOXZTFMS-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-25-18-9-7-17(8-10-18)20(23)21-19(16-5-3-2-4-6-16)15-22-11-13-24-14-12-22/h2-10,19H,11-15H2,1H3,(H,21,23)/t19-/m0/s1.
What are the key properties of 4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide?
4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide has a molecular weight of 356.49 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide is sourced from PubChem (CID 9149987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).