2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide

C26H36N4O6S2 — CID 43901468

IUPAC2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
SMILESCC(NC(=O)CN(c1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C26H36N4O6S2/c1-21(22-6-8-23(9-7-22)28-14-4-3-5-15-28)27-26(31)20-30(37(2,32)33)24-10-12-25(13-11-24)38(34,35)29-16-18-36-19-17-29/h6-13,21H,3-5,14-20H2,1-2H3,(H,27,31)
InChIKeyFLTZHYMTXCNVMA-UHFFFAOYSA-N
MW564.73 g/mol
LogP2.34
Rot. Bonds9

About 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide

2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide (PubChem CID 43901468) has the molecular formula C26H36N4O6S2 and a molecular weight of 564.73 g/mol. Its IUPAC name is 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
PubChem CID43901468
Molecular FormulaC26H36N4O6S2
Molecular Weight564.73 g/mol
Exact Mass564.21
IUPAC Name2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
SMILESCC(NC(=O)CN(c1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C26H36N4O6S2/c1-21(22-6-8-23(9-7-22)28-14-4-3-5-15-28)27-26(31)20-30(37(2,32)33)24-10-12-25(13-11-24)38(34,35)29-16-18-36-19-17-29/h6-13,21H,3-5,14-20H2,1-2H3,(H,27,31)
InChIKeyFLTZHYMTXCNVMA-UHFFFAOYSA-N
XLogP2.34
TPSA116.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.73
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 43899401
2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 43901463
N-[1-(3,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 43901680
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 43900449
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide
CID 43895333
N-(4-morpholin-4-ylsulfonylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 30256714
N-(3-methylbutyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 30269941
N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 43900529
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 43891952
N-(4-morpholin-4-ylsulfonylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 30256622
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 43897263
2-(N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide
CID 43898723

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide (CID 43901468) is 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide is CC(NC(=O)CN(c1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide?
The InChIKey is FLTZHYMTXCNVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O6S2/c1-21(22-6-8-23(9-7-22)28-14-4-3-5-15-28)27-26(31)20-30(37(2,32)33)24-10-12-25(13-11-24)38(34,35)29-16-18-36-19-17-29/h6-13,21H,3-5,14-20H2,1-2H3,(H,27,31).
What are the key properties of 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide?
2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide has a molecular weight of 564.73 g/mol, XLogP of 2.34, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 43901468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).