2-methoxy-5-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methylsulfamoyl]benzamide

C20H32N4O4S — CID 146024591

IUPAC2-methoxy-5-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methylsulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NCC2(N3CCN(C)CC3)CCCCC2)cc1C(N)=O
InChIInChI=1S/C20H32N4O4S/c1-23-10-12-24(13-11-23)20(8-4-3-5-9-20)15-22-29(26,27)16-6-7-18(28-2)17(14-16)19(21)25/h6-7,14,22H,3-5,8-13,15H2,1-2H3,(H2,21,25)
InChIKeyXCRKHPXPWWKRIY-UHFFFAOYSA-N
MW424.57 g/mol
LogP1.02
Rot. Bonds7

About 2-methoxy-5-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methylsulfamoyl]benzamide

2-methoxy-5-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methylsulfamoyl]benzamide (PubChem CID 146024591) has the molecular formula C20H32N4O4S and a molecular weight of 424.57 g/mol. Its IUPAC name is 2-methoxy-5-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methylsulfamoyl]benzamide.

Molecular Properties

Compound Name2-methoxy-5-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methylsulfamoyl]benzamide
PubChem CID146024591
Molecular FormulaC20H32N4O4S
Molecular Weight424.57 g/mol
Exact Mass424.21
IUPAC Name2-methoxy-5-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methylsulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NCC2(N3CCN(C)CC3)CCCCC2)cc1C(N)=O
InChIInChI=1S/C20H32N4O4S/c1-23-10-12-24(13-11-23)20(8-4-3-5-9-20)15-22-29(26,27)16-6-7-18(28-2)17(14-16)19(21)25/h6-7,14,22H,3-5,8-13,15H2,1-2H3,(H2,21,25)
InChIKeyXCRKHPXPWWKRIY-UHFFFAOYSA-N
XLogP1.02
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1-aminocyclohexyl)methylsulfamoyl]-2-methoxybenzamide
CID 119958906
2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide
CID 53499321
2-methoxy-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]benzamide;hydrochloride
CID 120720413
5-[[1-(dimethylamino)-4-methylcyclohexyl]methylsulfamoyl]-2-methoxybenzamide
CID 146022773
2-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5-sulfamoylbenzamide
CID 2561314
5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methoxybenzamide
CID 65113342
5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide
CID 146024625
5-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]-2-methoxybenzamide;hydrochloride
CID 120666289
5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methoxybenzamide
CID 66006744
2-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119974021
2-methoxy-N-methyl-5-[3-(4-methylpiperazin-1-yl)propylsulfamoyl]benzamide
CID 99971694
5-(tert-butylsulfamoyl)-2-methoxybenzamide
CID 42562024

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methylsulfamoyl]benzamide?
The IUPAC name of 2-methoxy-5-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methylsulfamoyl]benzamide (CID 146024591) is 2-methoxy-5-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methylsulfamoyl]benzamide.
What is the SMILES notation for 2-methoxy-5-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methylsulfamoyl]benzamide?
The canonical SMILES for 2-methoxy-5-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methylsulfamoyl]benzamide is COc1ccc(S(=O)(=O)NCC2(N3CCN(C)CC3)CCCCC2)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methylsulfamoyl]benzamide?
The InChIKey is XCRKHPXPWWKRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4S/c1-23-10-12-24(13-11-23)20(8-4-3-5-9-20)15-22-29(26,27)16-6-7-18(28-2)17(14-16)19(21)25/h6-7,14,22H,3-5,8-13,15H2,1-2H3,(H2,21,25).
What are the key properties of 2-methoxy-5-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methylsulfamoyl]benzamide?
2-methoxy-5-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methylsulfamoyl]benzamide has a molecular weight of 424.57 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methylsulfamoyl]benzamide is sourced from PubChem (CID 146024591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).