N-(oxolan-2-ylmethyl)-4-piperazin-1-yl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide

C25H34N4O4S — CID 46333531

IUPACN-(oxolan-2-ylmethyl)-4-piperazin-1-yl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)NCC3CCCO3)ccc2N2CCNCC2)cc1C
InChIInChI=1S/C25H34N4O4S/c1-17-13-19(3)24(14-18(17)2)34(31,32)28-22-15-20(25(30)27-16-21-5-4-12-33-21)6-7-23(22)29-10-8-26-9-11-29/h6-7,13-15,21,26,28H,4-5,8-12,16H2,1-3H3,(H,27,30)
InChIKeyHJWQOAMOGGFBKB-UHFFFAOYSA-N
MW486.64 g/mol
LogP2.73
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-4-piperazin-1-yl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide

N-(oxolan-2-ylmethyl)-4-piperazin-1-yl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide (PubChem CID 46333531) has the molecular formula C25H34N4O4S and a molecular weight of 486.64 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-piperazin-1-yl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-piperazin-1-yl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
PubChem CID46333531
Molecular FormulaC25H34N4O4S
Molecular Weight486.64 g/mol
Exact Mass486.23
IUPAC NameN-(oxolan-2-ylmethyl)-4-piperazin-1-yl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)NCC3CCCO3)ccc2N2CCNCC2)cc1C
InChIInChI=1S/C25H34N4O4S/c1-17-13-19(3)24(14-18(17)2)34(31,32)28-22-15-20(25(30)27-16-21-5-4-12-33-21)6-7-23(22)29-10-8-26-9-11-29/h6-7,13-15,21,26,28H,4-5,8-12,16H2,1-3H3,(H,27,30)
InChIKeyHJWQOAMOGGFBKB-UHFFFAOYSA-N
XLogP2.73
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.64
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(methanesulfonamido)-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide
CID 46333521
3-[(3-chloro-4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-4-piperazin-1-ylbenzamide
CID 92872241
3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide
CID 46333530
3-[(3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059230
N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-piperazin-1-yl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 46333492
N-[5-(4-ethylpiperazine-1-carbonyl)-2-piperazin-1-ylphenyl]-2,4,5-trimethylbenzenesulfonamide
CID 46333482
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2233372
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 2977769
N-[(2R)-butan-2-yl]-3-[(2,5-dimethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 92872261
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(3-methylphenyl)methyl]-4-piperazin-1-ylbenzamide
CID 46333799
N-(oxolan-2-ylmethyl)-2-piperazin-1-yl-5-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 46379625
4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92874908

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-piperazin-1-yl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-piperazin-1-yl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide (CID 46333531) is N-(oxolan-2-ylmethyl)-4-piperazin-1-yl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-piperazin-1-yl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-piperazin-1-yl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide is Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)NCC3CCCO3)ccc2N2CCNCC2)cc1C.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-piperazin-1-yl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide?
The InChIKey is HJWQOAMOGGFBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4S/c1-17-13-19(3)24(14-18(17)2)34(31,32)28-22-15-20(25(30)27-16-21-5-4-12-33-21)6-7-23(22)29-10-8-26-9-11-29/h6-7,13-15,21,26,28H,4-5,8-12,16H2,1-3H3,(H,27,30).
What are the key properties of N-(oxolan-2-ylmethyl)-4-piperazin-1-yl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide?
N-(oxolan-2-ylmethyl)-4-piperazin-1-yl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide has a molecular weight of 486.64 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-piperazin-1-yl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 46333531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).