N-ethyl-3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzamide

C16H26N4O3S — CID 99967029

IUPACN-ethyl-3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzamide
SMILESCCNC(=O)c1ccc(N2CCN(C)CC2)c(S(=O)(=O)NCC)c1
InChIInChI=1S/C16H26N4O3S/c1-4-17-16(21)13-6-7-14(20-10-8-19(3)9-11-20)15(12-13)24(22,23)18-5-2/h6-7,12,18H,4-5,8-11H2,1-3H3,(H,17,21)
InChIKeyMURYSEJJLBTBBD-UHFFFAOYSA-N
MW354.48 g/mol
LogP0.49
Rot. Bonds6

About N-ethyl-3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzamide

N-ethyl-3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 99967029) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-ethyl-3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID99967029
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC NameN-ethyl-3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzamide
SMILESCCNC(=O)c1ccc(N2CCN(C)CC2)c(S(=O)(=O)NCC)c1
InChIInChI=1S/C16H26N4O3S/c1-4-17-16(21)13-6-7-14(20-10-8-19(3)9-11-20)15(12-13)24(22,23)18-5-2/h6-7,12,18H,4-5,8-11H2,1-3H3,(H,17,21)
InChIKeyMURYSEJJLBTBBD-UHFFFAOYSA-N
XLogP0.49
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(4-methylpiperazin-1-yl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 99967080
3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylbenzamide
CID 99967054
4-(4-methylpiperazin-1-yl)-3-(prop-2-enylsulfamoyl)benzoic acid
CID 21430444
N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349269
N-benzyl-4-(4-methylpiperazin-1-yl)-3-sulfamoylbenzamide;hydrochloride
CID 21430500
N-(4-iodophenyl)-4-(4-methylpiperazin-1-yl)-3-(methylsulfamoyl)benzamide
CID 99966997
4-(4-methylpiperazin-1-yl)-3-(methylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide
CID 99967016
N-ethyl-3-methyl-4-pyrrolidin-1-ylbenzamide
CID 168512289
3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide
CID 83000329
1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methylpiperazin-1-yl)phenyl]urea
CID 177253126
3-(ethylsulfamoyl)-4-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 99968240
N-methyl-2-(4-methylpiperazin-1-yl)-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 99967022

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-ethyl-3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzamide (CID 99967029) is N-ethyl-3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-ethyl-3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-ethyl-3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzamide is CCNC(=O)c1ccc(N2CCN(C)CC2)c(S(=O)(=O)NCC)c1.
What is the InChIKey of N-ethyl-3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is MURYSEJJLBTBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-4-17-16(21)13-6-7-14(20-10-8-19(3)9-11-20)15(12-13)24(22,23)18-5-2/h6-7,12,18H,4-5,8-11H2,1-3H3,(H,17,21).
What are the key properties of N-ethyl-3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzamide?
N-ethyl-3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 354.48 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 99967029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).