N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

C26H37N3O4S — CID 43897683

IUPACN-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCC1CCCCN1CCCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C26H37N3O4S/c1-4-22-10-7-8-18-28(22)19-9-17-27-26(30)20-29(24-11-5-6-12-25(24)33-3)34(31,32)23-15-13-21(2)14-16-23/h5-6,11-16,22H,4,7-10,17-20H2,1-3H3,(H,27,30)
InChIKeyRFWCZPPYXOMSFD-UHFFFAOYSA-N
MW487.67 g/mol
LogP3.97
Rot. Bonds11

About N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 43897683) has the molecular formula C26H37N3O4S and a molecular weight of 487.67 g/mol. Its IUPAC name is N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID43897683
Molecular FormulaC26H37N3O4S
Molecular Weight487.67 g/mol
Exact Mass487.25
IUPAC NameN-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCC1CCCCN1CCCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C26H37N3O4S/c1-4-22-10-7-8-18-28(22)19-9-17-27-26(30)20-29(24-11-5-6-12-25(24)33-3)34(31,32)23-15-13-21(2)14-16-23/h5-6,11-16,22H,4,7-10,17-20H2,1-3H3,(H,27,30)
InChIKeyRFWCZPPYXOMSFD-UHFFFAOYSA-N
XLogP3.97
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.67
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 43901171
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 133209869
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43892823
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43893316
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43905897
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 43895820
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126274254
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43895236
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30243119
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide
CID 126143488
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 133200145
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-cyclopentyloxypropyl)acetamide
CID 30213587

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 43897683) is N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is CCC1CCCCN1CCCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is RFWCZPPYXOMSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O4S/c1-4-22-10-7-8-18-28(22)19-9-17-27-26(30)20-29(24-11-5-6-12-25(24)33-3)34(31,32)23-15-13-21(2)14-16-23/h5-6,11-16,22H,4,7-10,17-20H2,1-3H3,(H,27,30).
What are the key properties of N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 487.67 g/mol, XLogP of 3.97, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 43897683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).