N-(2-cyclopentylsulfanylphenyl)-2-morpholin-2-ylacetamide

C17H24N2O2S — CID 119042060

IUPACN-(2-cyclopentylsulfanylphenyl)-2-morpholin-2-ylacetamide
SMILESO=C(CC1CNCCO1)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C17H24N2O2S/c20-17(11-13-12-18-9-10-21-13)19-15-7-3-4-8-16(15)22-14-5-1-2-6-14/h3-4,7-8,13-14,18H,1-2,5-6,9-12H2,(H,19,20)
InChIKeyQOTDGHNBLKHPSI-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.04
Rot. Bonds5

About N-(2-cyclopentylsulfanylphenyl)-2-morpholin-2-ylacetamide

N-(2-cyclopentylsulfanylphenyl)-2-morpholin-2-ylacetamide (PubChem CID 119042060) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylphenyl)-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylphenyl)-2-morpholin-2-ylacetamide
PubChem CID119042060
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN-(2-cyclopentylsulfanylphenyl)-2-morpholin-2-ylacetamide
SMILESO=C(CC1CNCCO1)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C17H24N2O2S/c20-17(11-13-12-18-9-10-21-13)19-15-7-3-4-8-16(15)22-14-5-1-2-6-14/h3-4,7-8,13-14,18H,1-2,5-6,9-12H2,(H,19,20)
InChIKeyQOTDGHNBLKHPSI-UHFFFAOYSA-N
XLogP3.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethylsulfanyl)phenyl]-2-morpholin-2-ylacetamide
CID 66433758
N-[2-(dimethylamino)phenyl]-2-morpholin-2-ylacetamide;dihydrochloride
CID 119843667
methyl 2-[(2-morpholin-2-ylacetyl)amino]benzoate
CID 66433003
N-(2-benzylphenyl)-2-morpholin-2-ylacetamide
CID 119675738
2-morpholin-2-yl-N-phenylacetamide;hydrochloride
CID 119670265
N-(2-methylpropyl)-2-[(2-morpholin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119684646
2-methyl-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid
CID 66434366
N-(3-chloro-2-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119671783
N-(2-cyclopentylsulfanylphenyl)-2-(propan-2-ylamino)acetamide
CID 60843241
N-(2,6-dimethylphenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119676388
2-morpholin-2-yl-N-pyrimidin-2-ylacetamide
CID 66435900
N-benzhydryl-2-morpholin-2-ylacetamide;hydrochloride
CID 119675556

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylphenyl)-2-morpholin-2-ylacetamide?
The IUPAC name of N-(2-cyclopentylsulfanylphenyl)-2-morpholin-2-ylacetamide (CID 119042060) is N-(2-cyclopentylsulfanylphenyl)-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylphenyl)-2-morpholin-2-ylacetamide?
The canonical SMILES for N-(2-cyclopentylsulfanylphenyl)-2-morpholin-2-ylacetamide is O=C(CC1CNCCO1)Nc1ccccc1SC1CCCC1.
What is the InChIKey of N-(2-cyclopentylsulfanylphenyl)-2-morpholin-2-ylacetamide?
The InChIKey is QOTDGHNBLKHPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c20-17(11-13-12-18-9-10-21-13)19-15-7-3-4-8-16(15)22-14-5-1-2-6-14/h3-4,7-8,13-14,18H,1-2,5-6,9-12H2,(H,19,20).
What are the key properties of N-(2-cyclopentylsulfanylphenyl)-2-morpholin-2-ylacetamide?
N-(2-cyclopentylsulfanylphenyl)-2-morpholin-2-ylacetamide has a molecular weight of 320.46 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylphenyl)-2-morpholin-2-ylacetamide is sourced from PubChem (CID 119042060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).