2-[butan-2-yl(methylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide

C18H29N3O3S — CID 113148782

IUPAC2-[butan-2-yl(methylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCCC(C)N(CC(=O)Nc1ccc(N2CCCCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C18H29N3O3S/c1-4-15(2)21(25(3,23)24)14-18(22)19-16-8-10-17(11-9-16)20-12-6-5-7-13-20/h8-11,15H,4-7,12-14H2,1-3H3,(H,19,22)
InChIKeyKNWSNPCNXBNFHX-UHFFFAOYSA-N
MW367.52 g/mol
LogP2.68
Rot. Bonds7

About 2-[butan-2-yl(methylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide

2-[butan-2-yl(methylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 113148782) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 2-[butan-2-yl(methylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[butan-2-yl(methylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID113148782
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name2-[butan-2-yl(methylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCCC(C)N(CC(=O)Nc1ccc(N2CCCCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C18H29N3O3S/c1-4-15(2)21(25(3,23)24)14-18(22)19-16-8-10-17(11-9-16)20-12-6-5-7-13-20/h8-11,15H,4-7,12-14H2,1-3H3,(H,19,22)
InChIKeyKNWSNPCNXBNFHX-UHFFFAOYSA-N
XLogP2.68
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.68
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-[butan-2-yl(methylsulfonyl)amino]-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-(diethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51178920
2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100509930
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-[acetyl(2-methylpropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 113158964
2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 60661179
N-(4-piperidin-1-ylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 100511260
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
CID 112988748
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
N-[4-(azepan-1-yl)phenyl]-2-[methyl-[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 40792110
N-[4-(azepan-1-yl)phenyl]-2-[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 40792112
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100501567

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(methylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[butan-2-yl(methylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide (CID 113148782) is 2-[butan-2-yl(methylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[butan-2-yl(methylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[butan-2-yl(methylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide is CCC(C)N(CC(=O)Nc1ccc(N2CCCCC2)cc1)S(C)(=O)=O.
What is the InChIKey of 2-[butan-2-yl(methylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is KNWSNPCNXBNFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-4-15(2)21(25(3,23)24)14-18(22)19-16-8-10-17(11-9-16)20-12-6-5-7-13-20/h8-11,15H,4-7,12-14H2,1-3H3,(H,19,22).
What are the key properties of 2-[butan-2-yl(methylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
2-[butan-2-yl(methylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 367.52 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(methylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 113148782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).