N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-phenylphenyl)sulfanylacetamide

C22H28N2O2S — CID 60519343

IUPACN-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-phenylphenyl)sulfanylacetamide
SMILESCC(C)(CNC(=O)CSc1ccc(-c2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C22H28N2O2S/c1-22(2,24-12-14-26-15-13-24)17-23-21(25)16-27-20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11H,12-17H2,1-2H3,(H,23,25)
InChIKeyJEDWEDHYZZMRCB-UHFFFAOYSA-N
MW384.55 g/mol
LogP3.67
Rot. Bonds7

About N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-phenylphenyl)sulfanylacetamide

N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-phenylphenyl)sulfanylacetamide (PubChem CID 60519343) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-phenylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-phenylphenyl)sulfanylacetamide
PubChem CID60519343
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC NameN-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-phenylphenyl)sulfanylacetamide
SMILESCC(C)(CNC(=O)CSc1ccc(-c2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C22H28N2O2S/c1-22(2,24-12-14-26-15-13-24)17-23-21(25)16-27-20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11H,12-17H2,1-2H3,(H,23,25)
InChIKeyJEDWEDHYZZMRCB-UHFFFAOYSA-N
XLogP3.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-2-morpholin-4-ylpropyl)-2-(2-methylphenyl)sulfanylacetamide
CID 51163397
N-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 51163428
3-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 110024325
2-(4-benzylpiperazin-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 46491153
N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 4801976
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 37053168
2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-piperidin-1-ylpropyl)acetamide
CID 51164309
2-(2-chloroanilino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 51252333
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 134061367
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 46668800
3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid
CID 55049600
2-(benzylcarbamoylamino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 30905093

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-phenylphenyl)sulfanylacetamide?
The IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-phenylphenyl)sulfanylacetamide (CID 60519343) is N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-phenylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-phenylphenyl)sulfanylacetamide?
The canonical SMILES for N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-phenylphenyl)sulfanylacetamide is CC(C)(CNC(=O)CSc1ccc(-c2ccccc2)cc1)N1CCOCC1.
What is the InChIKey of N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-phenylphenyl)sulfanylacetamide?
The InChIKey is JEDWEDHYZZMRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-22(2,24-12-14-26-15-13-24)17-23-21(25)16-27-20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11H,12-17H2,1-2H3,(H,23,25).
What are the key properties of N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-phenylphenyl)sulfanylacetamide?
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-phenylphenyl)sulfanylacetamide has a molecular weight of 384.55 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-phenylphenyl)sulfanylacetamide is sourced from PubChem (CID 60519343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).