N-[4-[4-[[1-butyl-3-[cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethylpyrazol-1-yl]phenyl]methanesulfonamide

C32H48N6O5S — CID 22136084

IUPACN-[4-[4-[[1-butyl-3-[cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethylpyrazol-1-yl]phenyl]methanesulfonamide
SMILESCCCCN1C(=O)C(C(O)C2CCCCC2)NC(=O)C12CCN(Cc1c(C)nn(-c3ccc(NS(C)(=O)=O)cc3)c1C)CC2
InChIInChI=1S/C32H48N6O5S/c1-5-6-18-37-30(40)28(29(39)24-10-8-7-9-11-24)33-31(41)32(37)16-19-36(20-17-32)21-27-22(2)34-38(23(27)3)26-14-12-25(13-15-26)35-44(4,42)43/h12-15,24,28-29,35,39H,5-11,16-21H2,1-4H3,(H,33,41)
InChIKeyWZIFRTZLLJXOPH-UHFFFAOYSA-N
MW628.84 g/mol
LogP3.26
Rot. Bonds10

About N-[4-[4-[[1-butyl-3-[cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethylpyrazol-1-yl]phenyl]methanesulfonamide

N-[4-[4-[[1-butyl-3-[cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethylpyrazol-1-yl]phenyl]methanesulfonamide (PubChem CID 22136084) has the molecular formula C32H48N6O5S and a molecular weight of 628.84 g/mol. Its IUPAC name is N-[4-[4-[[1-butyl-3-[cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethylpyrazol-1-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-[[1-butyl-3-[cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethylpyrazol-1-yl]phenyl]methanesulfonamide
PubChem CID22136084
Molecular FormulaC32H48N6O5S
Molecular Weight628.84 g/mol
Exact Mass628.34
IUPAC NameN-[4-[4-[[1-butyl-3-[cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethylpyrazol-1-yl]phenyl]methanesulfonamide
SMILESCCCCN1C(=O)C(C(O)C2CCCCC2)NC(=O)C12CCN(Cc1c(C)nn(-c3ccc(NS(C)(=O)=O)cc3)c1C)CC2
InChIInChI=1S/C32H48N6O5S/c1-5-6-18-37-30(40)28(29(39)24-10-8-7-9-11-24)33-31(41)32(37)16-19-36(20-17-32)21-27-22(2)34-38(23(27)3)26-14-12-25(13-15-26)35-44(4,42)43/h12-15,24,28-29,35,39H,5-11,16-21H2,1-4H3,(H,33,41)
InChIKeyWZIFRTZLLJXOPH-UHFFFAOYSA-N
XLogP3.26
TPSA136.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500628.84
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-[4-[[1-butyl-3-[cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethylpyrazol-1-yl]phenyl]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

N-[4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethylpyrazol-1-yl]phenyl]methanesulfonamide
CID 58635507
N-[4-[4-[[(3R)-1-butyl-3-[(1R)-1-hydroxy-2-methylpropyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethylpyrazol-1-yl]phenyl]methanesulfonamide;dihydrochloride
CID 69495166
(3R)-1-butyl-9-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-[(R)-cyclohexyl(hydroxy)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 58635358
1-butyl-9-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-[cyclohexyl(hydroxy)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 22135912
4-[4-[[1-butyl-3-[cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylbenzenesulfonamide
CID 23577546
4-[4-[[1-butyl-3-(1-hydroxy-2-methylpropyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethylpyrazol-1-yl]-N-methylbenzenesulfonamide
CID 22135804
(3R)-1-but-2-ynyl-3-[(R)-cyclohexyl(hydroxy)methyl]-9-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 58715413
(3S)-1-but-2-ynyl-3-[(S)-cyclohexyl(hydroxy)methyl]-9-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 3011736
(3R)-1-butyl-3-(cyclohexylmethyl)-9-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 58715424
4-[4-[[(3S)-1-butyl-3-(cyclohexylmethyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethylpyrazol-1-yl]benzoic acid
CID 58715357
4-[4-[[1-butyl-3-(1-hydroxy-2-methylpropyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethylpyrazol-1-yl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 22135806
1-butyl-9-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 10120127

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[1-butyl-3-[cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethylpyrazol-1-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[4-[[1-butyl-3-[cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethylpyrazol-1-yl]phenyl]methanesulfonamide (CID 22136084) is N-[4-[4-[[1-butyl-3-[cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethylpyrazol-1-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-[[1-butyl-3-[cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethylpyrazol-1-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[4-[[1-butyl-3-[cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethylpyrazol-1-yl]phenyl]methanesulfonamide is CCCCN1C(=O)C(C(O)C2CCCCC2)NC(=O)C12CCN(Cc1c(C)nn(-c3ccc(NS(C)(=O)=O)cc3)c1C)CC2.
What is the InChIKey of N-[4-[4-[[1-butyl-3-[cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethylpyrazol-1-yl]phenyl]methanesulfonamide?
The InChIKey is WZIFRTZLLJXOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48N6O5S/c1-5-6-18-37-30(40)28(29(39)24-10-8-7-9-11-24)33-31(41)32(37)16-19-36(20-17-32)21-27-22(2)34-38(23(27)3)26-14-12-25(13-15-26)35-44(4,42)43/h12-15,24,28-29,35,39H,5-11,16-21H2,1-4H3,(H,33,41).
What are the key properties of N-[4-[4-[[1-butyl-3-[cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethylpyrazol-1-yl]phenyl]methanesulfonamide?
N-[4-[4-[[1-butyl-3-[cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethylpyrazol-1-yl]phenyl]methanesulfonamide has a molecular weight of 628.84 g/mol, XLogP of 3.26, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[1-butyl-3-[cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethylpyrazol-1-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 22136084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).