N-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-methylsulfonylamino]phenyl]acetamide

C17H26N4O4S — CID 113145517

IUPACN-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-methylsulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(CCC(=O)N2CCN(C)CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H26N4O4S/c1-14(22)18-15-4-6-16(7-5-15)21(26(3,24)25)9-8-17(23)20-12-10-19(2)11-13-20/h4-7H,8-13H2,1-3H3,(H,18,22)
InChIKeyKYOOVSSSYACZKV-UHFFFAOYSA-N
MW382.49 g/mol
LogP0.58
Rot. Bonds6

About N-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-methylsulfonylamino]phenyl]acetamide

N-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-methylsulfonylamino]phenyl]acetamide (PubChem CID 113145517) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-methylsulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-methylsulfonylamino]phenyl]acetamide
PubChem CID113145517
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC NameN-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-methylsulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(CCC(=O)N2CCN(C)CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H26N4O4S/c1-14(22)18-15-4-6-16(7-5-15)21(26(3,24)25)9-8-17(23)20-12-10-19(2)11-13-20/h4-7H,8-13H2,1-3H3,(H,18,22)
InChIKeyKYOOVSSSYACZKV-UHFFFAOYSA-N
XLogP0.58
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[methylsulfonyl-(3-morpholin-4-yl-3-oxopropyl)amino]phenyl]acetamide
CID 113145513
N-[4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]phenyl]acetamide
CID 113175895
N-(3-cyanophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113146833
N-(4-acetamidophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 113143636
N-(4-ethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142796
N-(3-oxo-3-piperidin-1-ylpropyl)-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 113145791
3-(4-acetamido-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113145529
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-(2,3,4-trifluorophenyl)methanesulfonamide
CID 113147065
N-(4-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113143872
methyl 4-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156021
N-(2-ethoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113144795
N-(2-ethyl-6-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142905

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-methylsulfonylamino]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-methylsulfonylamino]phenyl]acetamide (CID 113145517) is N-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-methylsulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-methylsulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-methylsulfonylamino]phenyl]acetamide is CC(=O)Nc1ccc(N(CCC(=O)N2CCN(C)CC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-methylsulfonylamino]phenyl]acetamide?
The InChIKey is KYOOVSSSYACZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-14(22)18-15-4-6-16(7-5-15)21(26(3,24)25)9-8-17(23)20-12-10-19(2)11-13-20/h4-7H,8-13H2,1-3H3,(H,18,22).
What are the key properties of N-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-methylsulfonylamino]phenyl]acetamide?
N-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-methylsulfonylamino]phenyl]acetamide has a molecular weight of 382.49 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-methylsulfonylamino]phenyl]acetamide is sourced from PubChem (CID 113145517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).