N-(4-ethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide

C18H29N3O3S — CID 113142796

IUPACN-(4-ethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCCc1ccc(N(CCC(=O)N2CCN(CC)CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H29N3O3S/c1-4-16-6-8-17(9-7-16)21(25(3,23)24)11-10-18(22)20-14-12-19(5-2)13-15-20/h6-9H,4-5,10-15H2,1-3H3
InChIKeyNOLHYRJZIVVDOT-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.57
Rot. Bonds7

About N-(4-ethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide

N-(4-ethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide (PubChem CID 113142796) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
PubChem CID113142796
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-(4-ethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCCc1ccc(N(CCC(=O)N2CCN(CC)CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H29N3O3S/c1-4-16-6-8-17(9-7-16)21(25(3,23)24)11-10-18(22)20-14-12-19(5-2)13-15-20/h6-9H,4-5,10-15H2,1-3H3
InChIKeyNOLHYRJZIVVDOT-UHFFFAOYSA-N
XLogP1.57
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(3-fluorophenyl)methanesulfonamide
CID 113145908
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-iodophenyl)methanesulfonamide
CID 2207186
N-(2-tert-butylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113143308
ethyl 4-[[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156731
N-(3-oxo-3-piperidin-1-ylpropyl)-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 113145791
N-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-methylsulfonylamino]phenyl]acetamide
CID 113145517
3-(4-ethyl-N-methylsulfonylanilino)-N-propylpropanamide
CID 113142775
N-(4-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113143872
N-[4-(4-ethylpiperazin-1-yl)-4-oxobutyl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 53286539
N-benzyl-N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methanesulfonamide
CID 30129117
N-benzyl-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 21372396
N-(4-ethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142877

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-(4-ethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide (CID 113142796) is N-(4-ethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide is CCc1ccc(N(CCC(=O)N2CCN(CC)CC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide?
The InChIKey is NOLHYRJZIVVDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-4-16-6-8-17(9-7-16)21(25(3,23)24)11-10-18(22)20-14-12-19(5-2)13-15-20/h6-9H,4-5,10-15H2,1-3H3.
What are the key properties of N-(4-ethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide?
N-(4-ethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide has a molecular weight of 367.52 g/mol, XLogP of 1.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 113142796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).