2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide

C20H25N3O3S — CID 100509930

IUPAC2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C20H25N3O3S/c1-27(25,26)23(19-8-4-2-5-9-19)16-20(24)21-17-10-12-18(13-11-17)22-14-6-3-7-15-22/h2,4-5,8-13H,3,6-7,14-16H2,1H3,(H,21,24)
InChIKeyKKOSHQXFGGSQKV-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.08
Rot. Bonds6

About 2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide

2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 100509930) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID100509930
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C20H25N3O3S/c1-27(25,26)23(19-8-4-2-5-9-19)16-20(24)21-17-10-12-18(13-11-17)22-14-6-3-7-15-22/h2,4-5,8-13H,3,6-7,14-16H2,1H3,(H,21,24)
InChIKeyKKOSHQXFGGSQKV-UHFFFAOYSA-N
XLogP3.08
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100510867
2-(4-ethyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502302
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502718
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100501567
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100510855
2-(N-(4-fluorophenyl)sulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100511409
N-(3-methylphenyl)-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113156289
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502730
N-benzyl-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113156273
N-(4-piperidin-1-ylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 100511260
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502060
4-[(N-methylsulfonylanilino)methyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100502369

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide (CID 100509930) is 2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of 2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is KKOSHQXFGGSQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-27(25,26)23(19-8-4-2-5-9-19)16-20(24)21-17-10-12-18(13-11-17)22-14-6-3-7-15-22/h2,4-5,8-13H,3,6-7,14-16H2,1H3,(H,21,24).
What are the key properties of 2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide?
2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 387.51 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 100509930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).