2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide

C29H35N3O3S — CID 43897263

IUPAC2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
SMILESCCc1ccc(N(CC(=O)NC(C)c2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C29H35N3O3S/c1-3-24-12-16-27(17-13-24)32(36(34,35)28-10-6-4-7-11-28)22-29(33)30-23(2)25-14-18-26(19-15-25)31-20-8-5-9-21-31/h4,6-7,10-19,23H,3,5,8-9,20-22H2,1-2H3,(H,30,33)
InChIKeyBFIZZRRDZWMWEL-UHFFFAOYSA-N
MW505.68 g/mol
LogP5.31
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide

2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide (PubChem CID 43897263) has the molecular formula C29H35N3O3S and a molecular weight of 505.68 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
PubChem CID43897263
Molecular FormulaC29H35N3O3S
Molecular Weight505.68 g/mol
Exact Mass505.24
IUPAC Name2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
SMILESCCc1ccc(N(CC(=O)NC(C)c2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C29H35N3O3S/c1-3-24-12-16-27(17-13-24)32(36(34,35)28-10-6-4-7-11-28)22-29(33)30-23(2)25-14-18-26(19-15-25)31-20-8-5-9-21-31/h4,6-7,10-19,23H,3,5,8-9,20-22H2,1-2H3,(H,30,33)
InChIKeyBFIZZRRDZWMWEL-UHFFFAOYSA-N
XLogP5.31
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.68
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 43891952
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 43892552
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 43892474
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 43892124
2-(N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide
CID 43898723
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 43899258
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide
CID 43892446
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 125084284
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide
CID 43893688
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(2,4-dimethylpentan-3-yl)acetamide
CID 126033735
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133158376
2-(N-(4-methylphenyl)sulfonylanilino)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 43893613

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide (CID 43897263) is 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide is CCc1ccc(N(CC(=O)NC(C)c2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide?
The InChIKey is BFIZZRRDZWMWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O3S/c1-3-24-12-16-27(17-13-24)32(36(34,35)28-10-6-4-7-11-28)22-29(33)30-23(2)25-14-18-26(19-15-25)31-20-8-5-9-21-31/h4,6-7,10-19,23H,3,5,8-9,20-22H2,1-2H3,(H,30,33).
What are the key properties of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide?
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide has a molecular weight of 505.68 g/mol, XLogP of 5.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 43897263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).