2-[ethylsulfonyl(propyl)amino]-N-[(2-methylphenyl)methyl]-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide

C26H37N3O4S2 — CID 42880734

IUPAC2-[ethylsulfonyl(propyl)amino]-N-[(2-methylphenyl)methyl]-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
SMILESCCCN(CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)Cc2cccs2)CC1)S(=O)(=O)CC
InChIInChI=1S/C26H37N3O4S2/c1-4-14-28(35(32,33)5-2)20-26(31)29(19-22-10-7-6-9-21(22)3)23-12-15-27(16-13-23)25(30)18-24-11-8-17-34-24/h6-11,17,23H,4-5,12-16,18-20H2,1-3H3
InChIKeyCRHNLQYPIDFOID-UHFFFAOYSA-N
MW519.73 g/mol
LogP3.68
Rot. Bonds11

About 2-[ethylsulfonyl(propyl)amino]-N-[(2-methylphenyl)methyl]-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide

2-[ethylsulfonyl(propyl)amino]-N-[(2-methylphenyl)methyl]-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide (PubChem CID 42880734) has the molecular formula C26H37N3O4S2 and a molecular weight of 519.73 g/mol. Its IUPAC name is 2-[ethylsulfonyl(propyl)amino]-N-[(2-methylphenyl)methyl]-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[ethylsulfonyl(propyl)amino]-N-[(2-methylphenyl)methyl]-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
PubChem CID42880734
Molecular FormulaC26H37N3O4S2
Molecular Weight519.73 g/mol
Exact Mass519.22
IUPAC Name2-[ethylsulfonyl(propyl)amino]-N-[(2-methylphenyl)methyl]-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
SMILESCCCN(CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)Cc2cccs2)CC1)S(=O)(=O)CC
InChIInChI=1S/C26H37N3O4S2/c1-4-14-28(35(32,33)5-2)20-26(31)29(19-22-10-7-6-9-21(22)3)23-12-15-27(16-13-23)25(30)18-24-11-8-17-34-24/h6-11,17,23H,4-5,12-16,18-20H2,1-3H3
InChIKeyCRHNLQYPIDFOID-UHFFFAOYSA-N
XLogP3.68
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.73
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethylsulfonyl(propyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 46108870
2-[ethylsulfonyl(propyl)amino]-N-[1-(4-methoxybenzoyl)piperidin-4-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 46108846
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-[ethylsulfonyl(propyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 46108957
N-[1-(4-butoxybenzoyl)piperidin-4-yl]-2-[ethylsulfonyl(propyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 46108875
N-(3-chlorophenyl)-4-[[2-[ethylsulfonyl(propyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]piperidine-1-carboxamide
CID 46108926
N-[1-(2-methylbenzoyl)piperidin-4-yl]-2-[3-methylbutyl(propylsulfonyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 46108129
2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 46108714
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylacetyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide
CID 42880687
2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 46108750
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
2-[benzenesulfonyl(propyl)amino]-N-(1-butanoylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 46108362
1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110366127

Frequently Asked Questions

What is the IUPAC name of 2-[ethylsulfonyl(propyl)amino]-N-[(2-methylphenyl)methyl]-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[ethylsulfonyl(propyl)amino]-N-[(2-methylphenyl)methyl]-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide (CID 42880734) is 2-[ethylsulfonyl(propyl)amino]-N-[(2-methylphenyl)methyl]-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[ethylsulfonyl(propyl)amino]-N-[(2-methylphenyl)methyl]-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[ethylsulfonyl(propyl)amino]-N-[(2-methylphenyl)methyl]-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide is CCCN(CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)Cc2cccs2)CC1)S(=O)(=O)CC.
What is the InChIKey of 2-[ethylsulfonyl(propyl)amino]-N-[(2-methylphenyl)methyl]-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide?
The InChIKey is CRHNLQYPIDFOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O4S2/c1-4-14-28(35(32,33)5-2)20-26(31)29(19-22-10-7-6-9-21(22)3)23-12-15-27(16-13-23)25(30)18-24-11-8-17-34-24/h6-11,17,23H,4-5,12-16,18-20H2,1-3H3.
What are the key properties of 2-[ethylsulfonyl(propyl)amino]-N-[(2-methylphenyl)methyl]-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide?
2-[ethylsulfonyl(propyl)amino]-N-[(2-methylphenyl)methyl]-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide has a molecular weight of 519.73 g/mol, XLogP of 3.68, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethylsulfonyl(propyl)amino]-N-[(2-methylphenyl)methyl]-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 42880734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).