2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(4-methylpiperazin-1-yl)acetamide

C16H24N4O3S — CID 9205651

IUPAC2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(NC(=O)CN(C)S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C16H24N4O3S/c1-18-9-11-20(12-10-18)17-16(21)14-19(2)24(22,23)13-8-15-6-4-3-5-7-15/h3-8,13H,9-12,14H2,1-2H3,(H,17,21)/b13-8+
InChIKeyRQHWNLXZXREOEB-MDWZMJQESA-N
MW352.46 g/mol
LogP0.20
Rot. Bonds6

About 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(4-methylpiperazin-1-yl)acetamide

2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(4-methylpiperazin-1-yl)acetamide (PubChem CID 9205651) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(4-methylpiperazin-1-yl)acetamide
PubChem CID9205651
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC Name2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(NC(=O)CN(C)S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C16H24N4O3S/c1-18-9-11-20(12-10-18)17-16(21)14-19(2)24(22,23)13-8-15-6-4-3-5-7-15/h3-8,13H,9-12,14H2,1-2H3,(H,17,21)/b13-8+
InChIKeyRQHWNLXZXREOEB-MDWZMJQESA-N
XLogP0.20
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 40682649
2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 9396258
2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2-phenylsulfanylethyl)acetamide
CID 9483076
N-[(4-fluorophenyl)methyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9427643
N-(1,3-benzodioxol-5-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9401678
N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9427564
N-(4-ethoxyphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9400832
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9401471
N-(1H-benzimidazol-2-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 8850309
2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 17466670
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 8626732
N-methyl-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 9428614

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(4-methylpiperazin-1-yl)acetamide (CID 9205651) is 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(4-methylpiperazin-1-yl)acetamide is CN1CCN(NC(=O)CN(C)S(=O)(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is RQHWNLXZXREOEB-MDWZMJQESA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-18-9-11-20(12-10-18)17-16(21)14-19(2)24(22,23)13-8-15-6-4-3-5-7-15/h3-8,13H,9-12,14H2,1-2H3,(H,17,21)/b13-8+.
What are the key properties of 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(4-methylpiperazin-1-yl)acetamide?
2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 352.46 g/mol, XLogP of 0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 9205651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).