N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(propan-2-ylsulfamoylamino)acetamide

C16H27N5O3S — CID 110606284

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-2-(propan-2-ylsulfamoylamino)acetamide
SMILESCC(C)NS(=O)(=O)NCC(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C16H27N5O3S/c1-13(2)19-25(23,24)17-12-16(22)18-14-4-6-15(7-5-14)21-10-8-20(3)9-11-21/h4-7,13,17,19H,8-12H2,1-3H3,(H,18,22)
InChIKeyIVUZREDFKZDKSR-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.21
Rot. Bonds7

About N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(propan-2-ylsulfamoylamino)acetamide

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(propan-2-ylsulfamoylamino)acetamide (PubChem CID 110606284) has the molecular formula C16H27N5O3S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(propan-2-ylsulfamoylamino)acetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2-(propan-2-ylsulfamoylamino)acetamide
PubChem CID110606284
Molecular FormulaC16H27N5O3S
Molecular Weight369.49 g/mol
Exact Mass369.18
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2-(propan-2-ylsulfamoylamino)acetamide
SMILESCC(C)NS(=O)(=O)NCC(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C16H27N5O3S/c1-13(2)19-25(23,24)17-12-16(22)18-14-4-6-15(7-5-14)21-10-8-20(3)9-11-21/h4-7,13,17,19H,8-12H2,1-3H3,(H,18,22)
InChIKeyIVUZREDFKZDKSR-UHFFFAOYSA-N
XLogP0.21
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.21
H-Bond Donors ≤ 53
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

N-(4-piperidin-1-ylphenyl)-2-(propan-2-ylsulfamoylamino)acetamide
CID 110606260
2-(3-methylbutylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109005861
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-propan-2-ylanilino)acetamide
CID 109007895
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148588
2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51176688
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 134017400
N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-2-phenylacetamide
CID 110601100
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-methylpropylamino)propanamide
CID 109012880
N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]pentanamide
CID 110601093
N-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109009137

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(propan-2-ylsulfamoylamino)acetamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(propan-2-ylsulfamoylamino)acetamide (CID 110606284) is N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(propan-2-ylsulfamoylamino)acetamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(propan-2-ylsulfamoylamino)acetamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(propan-2-ylsulfamoylamino)acetamide is CC(C)NS(=O)(=O)NCC(=O)Nc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(propan-2-ylsulfamoylamino)acetamide?
The InChIKey is IVUZREDFKZDKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3S/c1-13(2)19-25(23,24)17-12-16(22)18-14-4-6-15(7-5-14)21-10-8-20(3)9-11-21/h4-7,13,17,19H,8-12H2,1-3H3,(H,18,22).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(propan-2-ylsulfamoylamino)acetamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(propan-2-ylsulfamoylamino)acetamide has a molecular weight of 369.49 g/mol, XLogP of 0.21, 7 rotatable bonds, 3 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-(propan-2-ylsulfamoylamino)acetamide is sourced from PubChem (CID 110606284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).