N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]methanesulfonamide

C21H30N4O7S — CID 18931312

IUPACN-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]methanesulfonamide
SMILESCOc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(C)(=O)=O
InChIInChI=1S/C21H30N4O7S/c1-31-17-13-18(32-2)15(24-33(3,29)30)12-14(17)16(26)6-4-5-9-25-10-7-21(8-11-25)19(27)22-20(28)23-21/h12-13,24H,4-11H2,1-3H3,(H2,22,23,27,28)
InChIKeyBFXGBGSGXWIJQL-UHFFFAOYSA-N
MW482.56 g/mol
LogP1.10
Rot. Bonds10

About N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]methanesulfonamide

N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]methanesulfonamide (PubChem CID 18931312) has the molecular formula C21H30N4O7S and a molecular weight of 482.56 g/mol. Its IUPAC name is N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]methanesulfonamide
PubChem CID18931312
Molecular FormulaC21H30N4O7S
Molecular Weight482.56 g/mol
Exact Mass482.18
IUPAC NameN-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]methanesulfonamide
SMILESCOc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(C)(=O)=O
InChIInChI=1S/C21H30N4O7S/c1-31-17-13-18(32-2)15(24-33(3,29)30)12-14(17)16(26)6-4-5-9-25-10-7-21(8-11-25)19(27)22-20(28)23-21/h12-13,24H,4-11H2,1-3H3,(H2,22,23,27,28)
InChIKeyBFXGBGSGXWIJQL-UHFFFAOYSA-N
XLogP1.10
TPSA143.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[5-oxo-5-(2,4,5-trimethoxyphenyl)pentyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 18931240
2-chloro-N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]benzenesulfonamide
CID 18931172
N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]-4-nitrobenzenesulfonamide;hydrochloride
CID 18931428
8-[5-(3-methoxynaphthalen-2-yl)-5-oxopentyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 18931118
8-[7-(5-chloro-2-methoxyphenyl)-7-oxoheptyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 18931398
N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide;hydrochloride
CID 18931244
3-methyl-8-[5-oxo-5-(2,4,5-trimethoxyphenyl)pentyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 18931144
8-[5-(3,5-dichloro-2-methoxyphenyl)-5-oxopentyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 18931204
N-[3-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4,6-trimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 18931112
4-cyano-N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl)pentanoyl]-2,4-dimethoxyphenyl]benzenesulfonamide
CID 57202992
8-hexyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82098568
8-nonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82098593

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]methanesulfonamide?
The IUPAC name of N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]methanesulfonamide (CID 18931312) is N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]methanesulfonamide?
The canonical SMILES for N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]methanesulfonamide is COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]methanesulfonamide?
The InChIKey is BFXGBGSGXWIJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O7S/c1-31-17-13-18(32-2)15(24-33(3,29)30)12-14(17)16(26)6-4-5-9-25-10-7-21(8-11-25)19(27)22-20(28)23-21/h12-13,24H,4-11H2,1-3H3,(H2,22,23,27,28).
What are the key properties of N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]methanesulfonamide?
N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]methanesulfonamide has a molecular weight of 482.56 g/mol, XLogP of 1.10, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]methanesulfonamide is sourced from PubChem (CID 18931312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).