N-(3-methoxyphenyl)-2-methyl-10-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide

C18H26N4O5S — CID 131639855

IUPACN-(3-methoxyphenyl)-2-methyl-10-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(S(C)(=O)=O)CC3(CC(=O)N(C)C3)C2)c1
InChIInChI=1S/C18H26N4O5S/c1-20-11-18(10-16(20)23)12-21(7-8-22(13-18)28(3,25)26)17(24)19-14-5-4-6-15(9-14)27-2/h4-6,9H,7-8,10-13H2,1-3H3,(H,19,24)
InChIKeyJQRGBWMHKNCZJD-UHFFFAOYSA-N
MW410.50 g/mol
LogP0.65
Rot. Bonds3

About N-(3-methoxyphenyl)-2-methyl-10-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide

N-(3-methoxyphenyl)-2-methyl-10-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide (PubChem CID 131639855) has the molecular formula C18H26N4O5S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-methyl-10-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-methyl-10-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
PubChem CID131639855
Molecular FormulaC18H26N4O5S
Molecular Weight410.50 g/mol
Exact Mass410.16
IUPAC NameN-(3-methoxyphenyl)-2-methyl-10-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(S(C)(=O)=O)CC3(CC(=O)N(C)C3)C2)c1
InChIInChI=1S/C18H26N4O5S/c1-20-11-18(10-16(20)23)12-21(7-8-22(13-18)28(3,25)26)17(24)19-14-5-4-6-15(9-14)27-2/h4-6,9H,7-8,10-13H2,1-3H3,(H,19,24)
InChIKeyJQRGBWMHKNCZJD-UHFFFAOYSA-N
XLogP0.65
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-2-ethyl-N-(3-methoxyphenyl)-10-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 97385096
N-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61321561
(5R)-7-(3-methoxybenzoyl)-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97439009
(5S)-7-N-[(3-methoxyphenyl)methyl]-2-methyl-3-oxo-10-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
CID 97439026
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 51515803
2-methyl-3-oxo-N-phenyl-7-(pyridine-4-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 134070068
7-N-(3-methoxyphenyl)-10-N,10-N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
CID 131654402
(5S)-2-methyl-7-(3-methylbutanoyl)-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 98634691
N-(3-methoxyphenyl)-4-(2-nitrophenyl)sulfonylpiperazine-1-carboxamide
CID 55517694
(3aR,6aS)-5-acetyl-N-(3-methoxyphenyl)-2-methyl-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1'-carboxamide
CID 125234117
4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113110333
(3R)-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 95784287

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-methyl-10-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-2-methyl-10-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide (CID 131639855) is N-(3-methoxyphenyl)-2-methyl-10-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-methyl-10-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-methyl-10-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide is COc1cccc(NC(=O)N2CCN(S(C)(=O)=O)CC3(CC(=O)N(C)C3)C2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-methyl-10-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The InChIKey is JQRGBWMHKNCZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O5S/c1-20-11-18(10-16(20)23)12-21(7-8-22(13-18)28(3,25)26)17(24)19-14-5-4-6-15(9-14)27-2/h4-6,9H,7-8,10-13H2,1-3H3,(H,19,24).
What are the key properties of N-(3-methoxyphenyl)-2-methyl-10-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
N-(3-methoxyphenyl)-2-methyl-10-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-methyl-10-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide is sourced from PubChem (CID 131639855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).