N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide

C17H26N2O2S — CID 78812434

IUPACN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide
SMILESCC(C)CN1CCOC(CNC(=O)CSc2ccccc2)C1
InChIInChI=1S/C17H26N2O2S/c1-14(2)11-19-8-9-21-15(12-19)10-18-17(20)13-22-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,18,20)
InChIKeyYAEGVBPCXNTDOM-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.25
Rot. Bonds7

About N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide

N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide (PubChem CID 78812434) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide
PubChem CID78812434
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide
SMILESCC(C)CN1CCOC(CNC(=O)CSc2ccccc2)C1
InChIInChI=1S/C17H26N2O2S/c1-14(2)11-19-8-9-21-15(12-19)10-18-17(20)13-22-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,18,20)
InChIKeyYAEGVBPCXNTDOM-UHFFFAOYSA-N
XLogP2.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-difluorophenyl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51216467
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 7995361
2-[benzenesulfonyl(methyl)amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55622876
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
2-(4-benzoylphenoxy)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 8511173
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 42896713
3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 134032540
2-(2,6-dibromophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 60594057
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55398239
1-benzyl-3-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]thiourea
CID 9283755
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 8511058

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide (CID 78812434) is N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide is CC(C)CN1CCOC(CNC(=O)CSc2ccccc2)C1.
What is the InChIKey of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide?
The InChIKey is YAEGVBPCXNTDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-14(2)11-19-8-9-21-15(12-19)10-18-17(20)13-22-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,18,20).
What are the key properties of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide?
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide has a molecular weight of 322.47 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 78812434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).