N-[4-(furan-2-ylmethylsulfanyl)phenyl]-2-[(3R)-morpholin-3-yl]acetamide

C17H20N2O3S — CID 95712846

IUPACN-[4-(furan-2-ylmethylsulfanyl)phenyl]-2-[(3R)-morpholin-3-yl]acetamide
SMILESO=C(C[C@@H]1COCCN1)Nc1ccc(SCc2ccco2)cc1
InChIInChI=1S/C17H20N2O3S/c20-17(10-14-11-21-9-7-18-14)19-13-3-5-16(6-4-13)23-12-15-2-1-8-22-15/h1-6,8,14,18H,7,9-12H2,(H,19,20)/t14-/m1/s1
InChIKeyASZBLMWMLGJAGS-CQSZACIVSA-N
MW332.43 g/mol
LogP2.89
Rot. Bonds6

About N-[4-(furan-2-ylmethylsulfanyl)phenyl]-2-[(3R)-morpholin-3-yl]acetamide

N-[4-(furan-2-ylmethylsulfanyl)phenyl]-2-[(3R)-morpholin-3-yl]acetamide (PubChem CID 95712846) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylsulfanyl)phenyl]-2-[(3R)-morpholin-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylsulfanyl)phenyl]-2-[(3R)-morpholin-3-yl]acetamide
PubChem CID95712846
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[4-(furan-2-ylmethylsulfanyl)phenyl]-2-[(3R)-morpholin-3-yl]acetamide
SMILESO=C(C[C@@H]1COCCN1)Nc1ccc(SCc2ccco2)cc1
InChIInChI=1S/C17H20N2O3S/c20-17(10-14-11-21-9-7-18-14)19-13-3-5-16(6-4-13)23-12-15-2-1-8-22-15/h1-6,8,14,18H,7,9-12H2,(H,19,20)/t14-/m1/s1
InChIKeyASZBLMWMLGJAGS-CQSZACIVSA-N
XLogP2.89
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(furan-2-ylmethylsulfanyl)phenyl]-2-morpholin-3-ylacetamide
CID 56889679
N-[4-(1,3-dioxolan-2-yl)phenyl]-2-morpholin-3-ylacetamide
CID 106911781
N-(4-chloropyrimidin-2-yl)-2-morpholin-3-ylacetamide
CID 114052312
N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-2-[(3R)-morpholin-3-yl]acetamide
CID 95727200
1-[4-(furan-2-ylmethylsulfanyl)phenyl]-3-[(3S)-1-oxaspiro[4.4]nonan-3-yl]urea
CID 97438150
2-[4-[[2-[(3S)-morpholin-3-yl]acetyl]amino]phenyl]quinoline-4-carboxamide
CID 95726365
N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-morpholin-3-ylacetamide;hydrochloride
CID 137064245
N-(3,3-diphenylpropyl)-2-[(3S)-morpholin-3-yl]acetamide
CID 95723724
N-(4-bromophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 4279150
N-(furan-2-ylmethyl)morpholine-3-carboxamide;hydrochloride
CID 119958152
1-(4-chlorophenyl)-3-(morpholin-3-ylmethyl)urea
CID 103548785
N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-morpholin-3-ylacetamide
CID 56908804

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylsulfanyl)phenyl]-2-[(3R)-morpholin-3-yl]acetamide?
The IUPAC name of N-[4-(furan-2-ylmethylsulfanyl)phenyl]-2-[(3R)-morpholin-3-yl]acetamide (CID 95712846) is N-[4-(furan-2-ylmethylsulfanyl)phenyl]-2-[(3R)-morpholin-3-yl]acetamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylsulfanyl)phenyl]-2-[(3R)-morpholin-3-yl]acetamide?
The canonical SMILES for N-[4-(furan-2-ylmethylsulfanyl)phenyl]-2-[(3R)-morpholin-3-yl]acetamide is O=C(C[C@@H]1COCCN1)Nc1ccc(SCc2ccco2)cc1.
What is the InChIKey of N-[4-(furan-2-ylmethylsulfanyl)phenyl]-2-[(3R)-morpholin-3-yl]acetamide?
The InChIKey is ASZBLMWMLGJAGS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N2O3S/c20-17(10-14-11-21-9-7-18-14)19-13-3-5-16(6-4-13)23-12-15-2-1-8-22-15/h1-6,8,14,18H,7,9-12H2,(H,19,20)/t14-/m1/s1.
What are the key properties of N-[4-(furan-2-ylmethylsulfanyl)phenyl]-2-[(3R)-morpholin-3-yl]acetamide?
N-[4-(furan-2-ylmethylsulfanyl)phenyl]-2-[(3R)-morpholin-3-yl]acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylsulfanyl)phenyl]-2-[(3R)-morpholin-3-yl]acetamide is sourced from PubChem (CID 95712846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).