N-(2-ethylphenyl)-2-[4-[2-(3-methoxypropylsulfonylamino)acetyl]piperazin-1-yl]acetamide

C20H32N4O5S — CID 71913315

IUPACN-(2-ethylphenyl)-2-[4-[2-(3-methoxypropylsulfonylamino)acetyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)CNS(=O)(=O)CCCOC)CC1
InChIInChI=1S/C20H32N4O5S/c1-3-17-7-4-5-8-18(17)22-19(25)16-23-9-11-24(12-10-23)20(26)15-21-30(27,28)14-6-13-29-2/h4-5,7-8,21H,3,6,9-16H2,1-2H3,(H,22,25)
InChIKeyHQFYLYBJEDXWTP-UHFFFAOYSA-N
MW440.57 g/mol
LogP0.29
Rot. Bonds11

About N-(2-ethylphenyl)-2-[4-[2-(3-methoxypropylsulfonylamino)acetyl]piperazin-1-yl]acetamide

N-(2-ethylphenyl)-2-[4-[2-(3-methoxypropylsulfonylamino)acetyl]piperazin-1-yl]acetamide (PubChem CID 71913315) has the molecular formula C20H32N4O5S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-[2-(3-methoxypropylsulfonylamino)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-[2-(3-methoxypropylsulfonylamino)acetyl]piperazin-1-yl]acetamide
PubChem CID71913315
Molecular FormulaC20H32N4O5S
Molecular Weight440.57 g/mol
Exact Mass440.21
IUPAC NameN-(2-ethylphenyl)-2-[4-[2-(3-methoxypropylsulfonylamino)acetyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)CNS(=O)(=O)CCCOC)CC1
InChIInChI=1S/C20H32N4O5S/c1-3-17-7-4-5-8-18(17)22-19(25)16-23-9-11-24(12-10-23)20(26)15-21-30(27,28)14-6-13-29-2/h4-5,7-8,21H,3,6,9-16H2,1-2H3,(H,22,25)
InChIKeyHQFYLYBJEDXWTP-UHFFFAOYSA-N
XLogP0.29
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
CID 120703347
N-(2-ethylphenyl)-2-[4-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetyl]piperazin-1-yl]acetamide
CID 55445521
N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide
CID 60522003
2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 120594769
2-[4-(3-aminobutanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 119833554
N-(2-ethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]acetamide
CID 9022351
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
1-[2-(3-methoxypropylsulfonylamino)acetyl]-N-phenylpiperidine-4-carboxamide
CID 71846024
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 119833508
N-(2-ethylphenyl)-2-[4-[2-[(2-methylcyclohexyl)amino]acetyl]piperazin-1-yl]acetamide
CID 112796606
N-(2-ethylphenyl)-2-[4-[2-[2-(trifluoromethyl)phenoxy]acetyl]piperazin-1-yl]acetamide
CID 39015022
N-(2-ethylphenyl)-2-[4-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]acetamide
CID 24547654

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-[2-(3-methoxypropylsulfonylamino)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[4-[2-(3-methoxypropylsulfonylamino)acetyl]piperazin-1-yl]acetamide (CID 71913315) is N-(2-ethylphenyl)-2-[4-[2-(3-methoxypropylsulfonylamino)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-[2-(3-methoxypropylsulfonylamino)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-[2-(3-methoxypropylsulfonylamino)acetyl]piperazin-1-yl]acetamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)CNS(=O)(=O)CCCOC)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-[2-(3-methoxypropylsulfonylamino)acetyl]piperazin-1-yl]acetamide?
The InChIKey is HQFYLYBJEDXWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O5S/c1-3-17-7-4-5-8-18(17)22-19(25)16-23-9-11-24(12-10-23)20(26)15-21-30(27,28)14-6-13-29-2/h4-5,7-8,21H,3,6,9-16H2,1-2H3,(H,22,25).
What are the key properties of N-(2-ethylphenyl)-2-[4-[2-(3-methoxypropylsulfonylamino)acetyl]piperazin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[4-[2-(3-methoxypropylsulfonylamino)acetyl]piperazin-1-yl]acetamide has a molecular weight of 440.57 g/mol, XLogP of 0.29, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-[2-(3-methoxypropylsulfonylamino)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 71913315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).