N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide

C20H29N5O5S — CID 16566298

IUPACN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)CN(C)C(C)c1ccc(S(N)(=O)=O)cc1)C2=O
InChIInChI=1S/C20H29N5O5S/c1-13-8-10-20(11-9-13)18(27)25(19(28)22-20)23-17(26)12-24(3)14(2)15-4-6-16(7-5-15)31(21,29)30/h4-7,13-14H,8-12H2,1-3H3,(H,22,28)(H,23,26)(H2,21,29,30)
InChIKeyAXNNVFBZQVRQDW-UHFFFAOYSA-N
MW451.55 g/mol
LogP0.86
Rot. Bonds6

About N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide

N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide (PubChem CID 16566298) has the molecular formula C20H29N5O5S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
PubChem CID16566298
Molecular FormulaC20H29N5O5S
Molecular Weight451.55 g/mol
Exact Mass451.19
IUPAC NameN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)CN(C)C(C)c1ccc(S(N)(=O)=O)cc1)C2=O
InChIInChI=1S/C20H29N5O5S/c1-13-8-10-20(11-9-13)18(27)25(19(28)22-20)23-17(26)12-24(3)14(2)15-4-6-16(7-5-15)31(21,29)30/h4-7,13-14H,8-12H2,1-3H3,(H,22,28)(H,23,26)(H2,21,29,30)
InChIKeyAXNNVFBZQVRQDW-UHFFFAOYSA-N
XLogP0.86
TPSA141.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide
CID 26652596
N-[3-[1-[methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]ethyl]phenyl]benzamide
CID 46508658
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide
CID 45355784
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 8905929
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55928321
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetamide
CID 45281463
benzhydryl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
CID 8596083
methyl (2S)-2-(3,4-dichlorophenyl)-2-[[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-methylamino]acetate
CID 52513333
N-[4-(azepan-1-yl)phenyl]-2-[methyl-[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 40792110
N-[4-(azepan-1-yl)phenyl]-2-[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 40792112
N-(2,6-dichlorophenyl)-2-[ethyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]acetamide
CID 24561239
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-phenylphenyl)acetamide
CID 27802749

Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide?
The IUPAC name of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide (CID 16566298) is N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide is CC1CCC2(CC1)NC(=O)N(NC(=O)CN(C)C(C)c1ccc(S(N)(=O)=O)cc1)C2=O.
What is the InChIKey of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide?
The InChIKey is AXNNVFBZQVRQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O5S/c1-13-8-10-20(11-9-13)18(27)25(19(28)22-20)23-17(26)12-24(3)14(2)15-4-6-16(7-5-15)31(21,29)30/h4-7,13-14H,8-12H2,1-3H3,(H,22,28)(H,23,26)(H2,21,29,30).
What are the key properties of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide?
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide has a molecular weight of 451.55 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide is sourced from PubChem (CID 16566298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).