1-[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]piperidine-4-carboxamide

C21H25N3O5S — CID 2928967

IUPAC1-[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H25N3O5S/c1-30(27,28)24(15-20(25)23-13-11-16(12-14-23)21(22)26)17-7-9-19(10-8-17)29-18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3,(H2,22,26)
InChIKeyVATJQVNUAJMGHW-UHFFFAOYSA-N
MW431.51 g/mol
LogP1.97
Rot. Bonds7

About 1-[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]piperidine-4-carboxamide

1-[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]piperidine-4-carboxamide (PubChem CID 2928967) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is 1-[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]piperidine-4-carboxamide
PubChem CID2928967
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name1-[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H25N3O5S/c1-30(27,28)24(15-20(25)23-13-11-16(12-14-23)21(22)26)17-7-9-19(10-8-17)29-18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3,(H2,22,26)
InChIKeyVATJQVNUAJMGHW-UHFFFAOYSA-N
XLogP1.97
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]piperidine-4-carboxamide 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

1-[2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetyl]piperidine-4-carboxamide
CID 2976213
1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide
CID 126031859
1-[4-(N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide
CID 6500036
1-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]piperidine-4-carboxamide
CID 126035425
N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(4-phenoxyphenyl)benzenesulfonamide
CID 1262526
N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-phenoxyphenyl)methanesulfonamide
CID 126132968
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4-phenoxybenzoate
CID 7838121
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(4-phenoxyphenyl)benzenesulfonamide
CID 2975245
1-[2-[N-(benzenesulfonyl)-4-nitroanilino]acetyl]piperidine-4-carboxamide
CID 2930245
1-[2-(2,4,5-trichloro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide
CID 1251616
N-[4-(dimethylamino)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113156111
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)methanesulfonamide
CID 1143321

Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]piperidine-4-carboxamide (CID 2928967) is 1-[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]piperidine-4-carboxamide is CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]piperidine-4-carboxamide?
The InChIKey is VATJQVNUAJMGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-30(27,28)24(15-20(25)23-13-11-16(12-14-23)21(22)26)17-7-9-19(10-8-17)29-18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3,(H2,22,26).
What are the key properties of 1-[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]piperidine-4-carboxamide?
1-[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]piperidine-4-carboxamide has a molecular weight of 431.51 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 2928967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).