N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide

C18H30N4O3S — CID 113148588

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
SMILESCC(C)CN(CC(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(C)(=O)=O
InChIInChI=1S/C18H30N4O3S/c1-15(2)13-22(26(4,24)25)14-18(23)19-16-5-7-17(8-6-16)21-11-9-20(3)10-12-21/h5-8,15H,9-14H2,1-4H3,(H,19,23)
InChIKeyFNCPLTBGXKXNQN-UHFFFAOYSA-N
MW382.53 g/mol
LogP1.29
Rot. Bonds7

About N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide (PubChem CID 113148588) has the molecular formula C18H30N4O3S and a molecular weight of 382.53 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
PubChem CID113148588
Molecular FormulaC18H30N4O3S
Molecular Weight382.53 g/mol
Exact Mass382.20
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
SMILESCC(C)CN(CC(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(C)(=O)=O
InChIInChI=1S/C18H30N4O3S/c1-15(2)13-22(26(4,24)25)14-18(23)19-16-5-7-17(8-6-16)21-11-9-20(3)10-12-21/h5-8,15H,9-14H2,1-4H3,(H,19,23)
InChIKeyFNCPLTBGXKXNQN-UHFFFAOYSA-N
XLogP1.29
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[3-methylbutyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113153332
N-[4-(4-methylpiperidin-1-yl)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136961
N-[4-(4-methylpiperazin-1-yl)phenyl]-N',N'-bis(2-methylpropyl)oxamide
CID 108527599
2-(3-methylbutylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109005861
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(propan-2-ylsulfamoylamino)acetamide
CID 110606284
2-[butyl(methyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109006156
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-methylpropylamino)propanamide
CID 109012880
2-[butan-2-yl(methylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 113148782
2-[acetyl(1-phenylethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113162094
2-[N-(dimethylsulfamoyl)anilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 53280050
N-(3,4-dichlorophenyl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148609

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide (CID 113148588) is N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide is CC(C)CN(CC(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide?
The InChIKey is FNCPLTBGXKXNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3S/c1-15(2)13-22(26(4,24)25)14-18(23)19-16-5-7-17(8-6-16)21-11-9-20(3)10-12-21/h5-8,15H,9-14H2,1-4H3,(H,19,23).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide has a molecular weight of 382.53 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 113148588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).