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

C22H29N3O3S — CID 100510867

IUPAC2-(4-ethyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCCc1ccc(N(CC(=O)Nc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H29N3O3S/c1-3-18-7-11-21(12-8-18)25(29(2,27)28)17-22(26)23-19-9-13-20(14-10-19)24-15-5-4-6-16-24/h7-14H,3-6,15-17H2,1-2H3,(H,23,26)
InChIKeyFSVDWQXXJNUNQH-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.64
Rot. Bonds7

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

2-(4-ethyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 100510867) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 2-(4-ethyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID100510867
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name2-(4-ethyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCCc1ccc(N(CC(=O)Nc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H29N3O3S/c1-3-18-7-11-21(12-8-18)25(29(2,27)28)17-22(26)23-19-9-13-20(14-10-19)24-15-5-4-6-16-24/h7-14H,3-6,15-17H2,1-2H3,(H,23,26)
InChIKeyFSVDWQXXJNUNQH-UHFFFAOYSA-N
XLogP3.64
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-ethyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-ethyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502302
2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100509930
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100501567
N-[4-(dimethylamino)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154194
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502718
2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 951908
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502730
N-(3-methylphenyl)-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113156289
4-(4-ethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)butanamide
CID 100524022
N-(4-piperidin-1-ylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 100511260
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 23792597
2-[butan-2-yl(methylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 113148782

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide (CID 100510867) is 2-(4-ethyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-ethyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(4-ethyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide is CCc1ccc(N(CC(=O)Nc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is FSVDWQXXJNUNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-3-18-7-11-21(12-8-18)25(29(2,27)28)17-22(26)23-19-9-13-20(14-10-19)24-15-5-4-6-16-24/h7-14H,3-6,15-17H2,1-2H3,(H,23,26).
What are the key properties of 2-(4-ethyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide?
2-(4-ethyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 415.56 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 100510867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).