N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-phenylsulfanylacetamide

C19H28N2O2S — CID 17473623

IUPACN-[(1-morpholin-4-ylcyclohexyl)methyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C19H28N2O2S/c22-18(15-24-17-7-3-1-4-8-17)20-16-19(9-5-2-6-10-19)21-11-13-23-14-12-21/h1,3-4,7-8H,2,5-6,9-16H2,(H,20,22)
InChIKeyMZOVSMGNTWXKEF-UHFFFAOYSA-N
MW348.51 g/mol
LogP2.93
Rot. Bonds6

About N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-phenylsulfanylacetamide

N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-phenylsulfanylacetamide (PubChem CID 17473623) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-2-phenylsulfanylacetamide
PubChem CID17473623
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C19H28N2O2S/c22-18(15-24-17-7-3-1-4-8-17)20-16-19(9-5-2-6-10-19)21-11-13-23-14-12-21/h1,3-4,7-8H,2,5-6,9-16H2,(H,20,22)
InChIKeyMZOVSMGNTWXKEF-UHFFFAOYSA-N
XLogP2.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-morpholinyl)propyl]-2-phenyl-2-(phenylthio)acetamide
CID 2862865
2-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 2219795
N-(2-morpholin-4-ylethyl)-2-phenyl-2-phenylthioacetamide
CID 3843296
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 4791442
2-(4-fluorophenyl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 18169460
N-(3-morpholin-4-ylpropyl)-2-phenylsulfanylacetamide
CID 2105521
N-[2-(4-morpholinyl)ethyl]-3-(phenylthio)propanamide
CID 2226422
2-(benzylthio)-N-[3-(4-morpholinyl)propyl]acetamide
CID 2986818
2-phenylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 24979288
2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 2481505
2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 4802479
2-(2-fluorophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 4846003

Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-phenylsulfanylacetamide (CID 17473623) is N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-phenylsulfanylacetamide?
The InChIKey is MZOVSMGNTWXKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c22-18(15-24-17-7-3-1-4-8-17)20-16-19(9-5-2-6-10-19)21-11-13-23-14-12-21/h1,3-4,7-8H,2,5-6,9-16H2,(H,20,22).
What are the key properties of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-phenylsulfanylacetamide?
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-phenylsulfanylacetamide has a molecular weight of 348.51 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 17473623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).