N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide

C16H24N2O3S — CID 119776294

IUPACN-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide
SMILESCOc1ccccc1SCC(C)CNC(=O)C1CNCCO1
InChIInChI=1S/C16H24N2O3S/c1-12(9-18-16(19)14-10-17-7-8-21-14)11-22-15-6-4-3-5-13(15)20-2/h3-6,12,14,17H,7-11H2,1-2H3,(H,18,19)
InChIKeyVGQUEHIZQHWGEM-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.53
Rot. Bonds7

About N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide

N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide (PubChem CID 119776294) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide
PubChem CID119776294
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide
SMILESCOc1ccccc1SCC(C)CNC(=O)C1CNCCO1
InChIInChI=1S/C16H24N2O3S/c1-12(9-18-16(19)14-10-17-7-8-21-14)11-22-15-6-4-3-5-13(15)20-2/h3-6,12,14,17H,7-11H2,1-2H3,(H,18,19)
InChIKeyVGQUEHIZQHWGEM-UHFFFAOYSA-N
XLogP1.53
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 103808140
N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119776288
N-[1-(2-methoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide
CID 119816799
(2S)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methylmorpholine-4-carboxamide
CID 95760588
N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111300980
N-[2-(4-fluorophenoxy)propyl]morpholine-2-carboxamide
CID 119804499
N-[(2-propan-2-yloxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119707554
N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119776295
N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methyl-3-(methylamino)propanamide
CID 119776282
N-[2-(2,6-dichlorophenyl)propyl]morpholine-2-carboxamide
CID 119768768
methyl 2-methyl-3-(morpholine-2-carbonylamino)propanoate;hydrochloride
CID 119768677
N-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119784414

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide?
The IUPAC name of N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide (CID 119776294) is N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide?
The canonical SMILES for N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide is COc1ccccc1SCC(C)CNC(=O)C1CNCCO1.
What is the InChIKey of N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide?
The InChIKey is VGQUEHIZQHWGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12(9-18-16(19)14-10-17-7-8-21-14)11-22-15-6-4-3-5-13(15)20-2/h3-6,12,14,17H,7-11H2,1-2H3,(H,18,19).
What are the key properties of N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide?
N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide is sourced from PubChem (CID 119776294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).