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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Related Compounds

N-[2-methyl-5-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclopentanecarboxamide
CID 172661986
N-[2-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl)-1-benzofuran-5-yl]-2-methylsulfanylacetamide
CID 176503297
8-[3-(3-fluorooxetan-3-yl)benzoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 166328338
8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70768346
2-chloro-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 146085920
7-[2-(hydroxymethyl)-3H-benzimidazole-5-carbonyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56892927
(5S)-3-methyl-9-[3-(pyrazol-1-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95723493
9-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-phenyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 110151259
(5S)-7-[3-(3,6-dimethylpyrazin-2-yl)benzoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125171131
3-methyl-8-[2-(3-methylphenyl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70740003
(5S)-3-methyl-7-[4-(6-methylpyridazin-3-yl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 126442350
N-[(4-methoxy-2-methylphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetamide
CID 167846684

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).