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

C17H26N2O2S — CID 51163397

IUPACN-(2-methyl-2-morpholin-4-ylpropyl)-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C17H26N2O2S/c1-14-6-4-5-7-15(14)22-12-16(20)18-13-17(2,3)19-8-10-21-11-9-19/h4-7H,8-13H2,1-3H3,(H,18,20)
InChIKeyKXNHUYWDDVXPBO-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.31
Rot. Bonds6

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

N-(2-methyl-2-morpholin-4-ylpropyl)-2-(2-methylphenyl)sulfanylacetamide (PubChem CID 51163397) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ylpropyl)-2-(2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methyl-2-morpholin-4-ylpropyl)-2-(2-methylphenyl)sulfanylacetamide
PubChem CID51163397
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-(2-methyl-2-morpholin-4-ylpropyl)-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C17H26N2O2S/c1-14-6-4-5-7-15(14)22-12-16(20)18-13-17(2,3)19-8-10-21-11-9-19/h4-7H,8-13H2,1-3H3,(H,18,20)
InChIKeyKXNHUYWDDVXPBO-UHFFFAOYSA-N
XLogP2.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-phenylphenyl)sulfanylacetamide
CID 60519343
N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 4801976
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 8917085
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 8799351
3-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 110024325
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 37053168
2-(2-chloroanilino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 51252333
N-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 51163428
2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 8814731
2-(2-methylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2458170
2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 24580273
N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)sulfanylacetamide
CID 113462669

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-2-(2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-2-(2-methylphenyl)sulfanylacetamide (CID 51163397) is N-(2-methyl-2-morpholin-4-ylpropyl)-2-(2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-methyl-2-morpholin-4-ylpropyl)-2-(2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(2-methyl-2-morpholin-4-ylpropyl)-2-(2-methylphenyl)sulfanylacetamide is Cc1ccccc1SCC(=O)NCC(C)(C)N1CCOCC1.
What is the InChIKey of N-(2-methyl-2-morpholin-4-ylpropyl)-2-(2-methylphenyl)sulfanylacetamide?
The InChIKey is KXNHUYWDDVXPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-14-6-4-5-7-15(14)22-12-16(20)18-13-17(2,3)19-8-10-21-11-9-19/h4-7H,8-13H2,1-3H3,(H,18,20).
What are the key properties of N-(2-methyl-2-morpholin-4-ylpropyl)-2-(2-methylphenyl)sulfanylacetamide?
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(2-methylphenyl)sulfanylacetamide has a molecular weight of 322.47 g/mol, XLogP of 2.31, 6 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-(2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 51163397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).