N-[2-methyl-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)phenyl]-2-methylsulfanylacetamide

C19H25N3O4S — CID 172672339

IUPACN-[2-methyl-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)phenyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1cc(C(=O)N2CCC3(CC2)CN(C)C(=O)O3)ccc1C
InChIInChI=1S/C19H25N3O4S/c1-13-4-5-14(10-15(13)20-16(23)11-27-3)17(24)22-8-6-19(7-9-22)12-21(2)18(25)26-19/h4-5,10H,6-9,11-12H2,1-3H3,(H,20,23)
InChIKeyIDILJASUGGYHGE-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.35
Rot. Bonds4

About N-[2-methyl-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)phenyl]-2-methylsulfanylacetamide

N-[2-methyl-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)phenyl]-2-methylsulfanylacetamide (PubChem CID 172672339) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[2-methyl-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)phenyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-methyl-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)phenyl]-2-methylsulfanylacetamide
PubChem CID172672339
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-[2-methyl-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)phenyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1cc(C(=O)N2CCC3(CC2)CN(C)C(=O)O3)ccc1C
InChIInChI=1S/C19H25N3O4S/c1-13-4-5-14(10-15(13)20-16(23)11-27-3)17(24)22-8-6-19(7-9-22)12-21(2)18(25)26-19/h4-5,10H,6-9,11-12H2,1-3H3,(H,20,23)
InChIKeyIDILJASUGGYHGE-UHFFFAOYSA-N
XLogP2.35
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)phenyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[2-methyl-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)phenyl]-2-methylsulfanylacetamide (CID 172672339) is N-[2-methyl-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)phenyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[2-methyl-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)phenyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[2-methyl-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)phenyl]-2-methylsulfanylacetamide is CSCC(=O)Nc1cc(C(=O)N2CCC3(CC2)CN(C)C(=O)O3)ccc1C.
What is the InChIKey of N-[2-methyl-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)phenyl]-2-methylsulfanylacetamide?
The InChIKey is IDILJASUGGYHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-13-4-5-14(10-15(13)20-16(23)11-27-3)17(24)22-8-6-19(7-9-22)12-21(2)18(25)26-19/h4-5,10H,6-9,11-12H2,1-3H3,(H,20,23).
What are the key properties of N-[2-methyl-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)phenyl]-2-methylsulfanylacetamide?
N-[2-methyl-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)phenyl]-2-methylsulfanylacetamide has a molecular weight of 391.49 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)phenyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 172672339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).