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N-(2-ethyl-6-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide

C18H29N3O3S — CID 113142905

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(2-ethyl-6-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCCc1cccc(C)c1N(CCC(=O)N1CCN(C)CC1)S(C)(=O)=O
InChIInChI=1S/C18H29N3O3S/c1-5-16-8-6-7-15(2)18(16)21(25(4,23)24)10-9-17(22)20-13-11-19(3)12-14-20/h6-8H,5,9-14H2,1-4H3
InChIKeyKICOZGZIKWKOIT-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.49
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide

N-(2-ethyl-6-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide (PubChem CID 113142905) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
PubChem CID113142905
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-(2-ethyl-6-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCCc1cccc(C)c1N(CCC(=O)N1CCN(C)CC1)S(C)(=O)=O
InChIInChI=1S/C18H29N3O3S/c1-5-16-8-6-7-15(2)18(16)21(25(4,23)24)10-9-17(22)20-13-11-19(3)12-14-20/h6-8H,5,9-14H2,1-4H3
InChIKeyKICOZGZIKWKOIT-UHFFFAOYSA-N
XLogP1.49
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide (CID 113142905) is N-(2-ethyl-6-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide is CCc1cccc(C)c1N(CCC(=O)N1CCN(C)CC1)S(C)(=O)=O.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide?
The InChIKey is KICOZGZIKWKOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-5-16-8-6-7-15(2)18(16)21(25(4,23)24)10-9-17(22)20-13-11-19(3)12-14-20/h6-8H,5,9-14H2,1-4H3.
What are the key properties of N-(2-ethyl-6-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide?
N-(2-ethyl-6-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide has a molecular weight of 367.52 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 113142905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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