4-[(4-ethylpiperazin-1-yl)methyl]-2-[3-(methanesulfonamido)-4-methylphenyl]benzamide

C22H30N4O3S — CID 174740795

IUPAC4-[(4-ethylpiperazin-1-yl)methyl]-2-[3-(methanesulfonamido)-4-methylphenyl]benzamide
SMILESCCN1CCN(Cc2ccc(C(N)=O)c(-c3ccc(C)c(NS(C)(=O)=O)c3)c2)CC1
InChIInChI=1S/C22H30N4O3S/c1-4-25-9-11-26(12-10-25)15-17-6-8-19(22(23)27)20(13-17)18-7-5-16(2)21(14-18)24-30(3,28)29/h5-8,13-14,24H,4,9-12,15H2,1-3H3,(H2,23,27)
InChIKeyMZHPWHMVLXDKJJ-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.27
Rot. Bonds7

About 4-[(4-ethylpiperazin-1-yl)methyl]-2-[3-(methanesulfonamido)-4-methylphenyl]benzamide

4-[(4-ethylpiperazin-1-yl)methyl]-2-[3-(methanesulfonamido)-4-methylphenyl]benzamide (PubChem CID 174740795) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is 4-[(4-ethylpiperazin-1-yl)methyl]-2-[3-(methanesulfonamido)-4-methylphenyl]benzamide.

Molecular Properties

Compound Name4-[(4-ethylpiperazin-1-yl)methyl]-2-[3-(methanesulfonamido)-4-methylphenyl]benzamide
PubChem CID174740795
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC Name4-[(4-ethylpiperazin-1-yl)methyl]-2-[3-(methanesulfonamido)-4-methylphenyl]benzamide
SMILESCCN1CCN(Cc2ccc(C(N)=O)c(-c3ccc(C)c(NS(C)(=O)=O)c3)c2)CC1
InChIInChI=1S/C22H30N4O3S/c1-4-25-9-11-26(12-10-25)15-17-6-8-19(22(23)27)20(13-17)18-7-5-16(2)21(14-18)24-30(3,28)29/h5-8,13-14,24H,4,9-12,15H2,1-3H3,(H2,23,27)
InChIKeyMZHPWHMVLXDKJJ-UHFFFAOYSA-N
XLogP2.27
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(4-ethylpiperazin-1-yl)methyl]-2-[3-(methanesulfonamido)-4-methylphenyl]benzamide with MolForge

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Related Compounds

N-[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)phenyl]ethanesulfonamide
CID 118021879
N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3,4-dimethylbenzamide
CID 2812625
(2R)-2-(N-((2E)-5-Amino-5-methylhex-2-enoyl)-N-methylamino)-N-methyl-3-(2-naphthyl)-N-(2-(2-methylsulfonylaminophenyl)ethyl)propionamide
CID 10745533
N-cyclopropyl-3-[4-[[3-(methanesulfonamido)phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide
CID 25194890
US10023592, Example 29
CID 118021357
US10023592, Example 74
CID 118021398
US10023592, Example 28
CID 118021399
US10023592, Example 33
CID 118021773
US10023592, Example 77
CID 118021851
US10023592, Example 78
CID 118021984
US10023592, Example 9
CID 118022070
4-[3-(Dimethylsulfamoylamino)phenyl]-2-methyl-1-oxoisoquinoline
CID 118022184

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylpiperazin-1-yl)methyl]-2-[3-(methanesulfonamido)-4-methylphenyl]benzamide?
The IUPAC name of 4-[(4-ethylpiperazin-1-yl)methyl]-2-[3-(methanesulfonamido)-4-methylphenyl]benzamide (CID 174740795) is 4-[(4-ethylpiperazin-1-yl)methyl]-2-[3-(methanesulfonamido)-4-methylphenyl]benzamide.
What is the SMILES notation for 4-[(4-ethylpiperazin-1-yl)methyl]-2-[3-(methanesulfonamido)-4-methylphenyl]benzamide?
The canonical SMILES for 4-[(4-ethylpiperazin-1-yl)methyl]-2-[3-(methanesulfonamido)-4-methylphenyl]benzamide is CCN1CCN(Cc2ccc(C(N)=O)c(-c3ccc(C)c(NS(C)(=O)=O)c3)c2)CC1.
What is the InChIKey of 4-[(4-ethylpiperazin-1-yl)methyl]-2-[3-(methanesulfonamido)-4-methylphenyl]benzamide?
The InChIKey is MZHPWHMVLXDKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-4-25-9-11-26(12-10-25)15-17-6-8-19(22(23)27)20(13-17)18-7-5-16(2)21(14-18)24-30(3,28)29/h5-8,13-14,24H,4,9-12,15H2,1-3H3,(H2,23,27).
What are the key properties of 4-[(4-ethylpiperazin-1-yl)methyl]-2-[3-(methanesulfonamido)-4-methylphenyl]benzamide?
4-[(4-ethylpiperazin-1-yl)methyl]-2-[3-(methanesulfonamido)-4-methylphenyl]benzamide has a molecular weight of 430.57 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylpiperazin-1-yl)methyl]-2-[3-(methanesulfonamido)-4-methylphenyl]benzamide is sourced from PubChem (CID 174740795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).