N-(4-methylsulfonylphenyl)-2-[1-[2-(N-(1-methylsulfonylpiperidin-4-yl)anilino)ethyl]piperidin-4-yl]acetamide

C28H40N4O5S2 — CID 42643608

IUPACN-(4-methylsulfonylphenyl)-2-[1-[2-(N-(1-methylsulfonylpiperidin-4-yl)anilino)ethyl]piperidin-4-yl]acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CC2CCN(CCN(c3ccccc3)C3CCN(S(C)(=O)=O)CC3)CC2)cc1
InChIInChI=1S/C28H40N4O5S2/c1-38(34,35)27-10-8-24(9-11-27)29-28(33)22-23-12-16-30(17-13-23)20-21-32(25-6-4-3-5-7-25)26-14-18-31(19-15-26)39(2,36)37/h3-11,23,26H,12-22H2,1-2H3,(H,29,33)
InChIKeyVIRPUBSCLSRQNM-UHFFFAOYSA-N
MW576.79 g/mol
LogP3.06
Rot. Bonds10

About N-(4-methylsulfonylphenyl)-2-[1-[2-(N-(1-methylsulfonylpiperidin-4-yl)anilino)ethyl]piperidin-4-yl]acetamide

N-(4-methylsulfonylphenyl)-2-[1-[2-(N-(1-methylsulfonylpiperidin-4-yl)anilino)ethyl]piperidin-4-yl]acetamide (PubChem CID 42643608) has the molecular formula C28H40N4O5S2 and a molecular weight of 576.79 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-2-[1-[2-(N-(1-methylsulfonylpiperidin-4-yl)anilino)ethyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-2-[1-[2-(N-(1-methylsulfonylpiperidin-4-yl)anilino)ethyl]piperidin-4-yl]acetamide
PubChem CID42643608
Molecular FormulaC28H40N4O5S2
Molecular Weight576.79 g/mol
Exact Mass576.24
IUPAC NameN-(4-methylsulfonylphenyl)-2-[1-[2-(N-(1-methylsulfonylpiperidin-4-yl)anilino)ethyl]piperidin-4-yl]acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CC2CCN(CCN(c3ccccc3)C3CCN(S(C)(=O)=O)CC3)CC2)cc1
InChIInChI=1S/C28H40N4O5S2/c1-38(34,35)27-10-8-24(9-11-27)29-28(33)22-23-12-16-30(17-13-23)20-21-32(25-6-4-3-5-7-25)26-14-18-31(19-15-26)39(2,36)37/h3-11,23,26H,12-22H2,1-2H3,(H,29,33)
InChIKeyVIRPUBSCLSRQNM-UHFFFAOYSA-N
XLogP3.06
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.79
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-methylsulfonylphenyl)-2-[1-[2-(N-(1-methylsulfonylpiperidin-4-yl)anilino)ethyl]piperidin-4-yl]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

tert-butyl 4-[N-[2-[4-[2-(4-methylsulfonylanilino)-2-oxoethyl]piperidin-1-yl]ethyl]anilino]piperidine-1-carboxylate
CID 42647195
2-[1-(2-chloroethyl)piperidin-4-yl]-N-(4-methylsulfonylphenyl)acetamide;iodomethane
CID 159012380
2-cyclopentyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 7926292
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 16613527
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(3-methoxyphenyl)acetamide
CID 110356021
2-cyclopropyl-N-phenylacetamide
CID 60753326
2-(1-methylsulfonylpiperidin-4-yl)-N-(1-propylbenzimidazol-5-yl)acetamide
CID 92633758
1-[4-[[1-[3-[N-[(4-methylphenyl)carbamoyl]anilino]propyl]piperidin-4-yl]methyl]phenyl]sulfonylpiperidine-4-carboxylic acid
CID 139986504
N-[4-[methyl-(1-propylpiperidin-4-yl)sulfamoyl]phenyl]propanamide
CID 49243207
2-(4-benzylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 3229482
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 2975834
N-[2-[4-[[2-(4-methylsulfonylphenyl)acetyl]amino]piperazin-1-yl]ethyl]-N-phenylcyclohexanecarboxamide
CID 15981945

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-2-[1-[2-(N-(1-methylsulfonylpiperidin-4-yl)anilino)ethyl]piperidin-4-yl]acetamide?
The IUPAC name of N-(4-methylsulfonylphenyl)-2-[1-[2-(N-(1-methylsulfonylpiperidin-4-yl)anilino)ethyl]piperidin-4-yl]acetamide (CID 42643608) is N-(4-methylsulfonylphenyl)-2-[1-[2-(N-(1-methylsulfonylpiperidin-4-yl)anilino)ethyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-2-[1-[2-(N-(1-methylsulfonylpiperidin-4-yl)anilino)ethyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-(4-methylsulfonylphenyl)-2-[1-[2-(N-(1-methylsulfonylpiperidin-4-yl)anilino)ethyl]piperidin-4-yl]acetamide is CS(=O)(=O)c1ccc(NC(=O)CC2CCN(CCN(c3ccccc3)C3CCN(S(C)(=O)=O)CC3)CC2)cc1.
What is the InChIKey of N-(4-methylsulfonylphenyl)-2-[1-[2-(N-(1-methylsulfonylpiperidin-4-yl)anilino)ethyl]piperidin-4-yl]acetamide?
The InChIKey is VIRPUBSCLSRQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O5S2/c1-38(34,35)27-10-8-24(9-11-27)29-28(33)22-23-12-16-30(17-13-23)20-21-32(25-6-4-3-5-7-25)26-14-18-31(19-15-26)39(2,36)37/h3-11,23,26H,12-22H2,1-2H3,(H,29,33).
What are the key properties of N-(4-methylsulfonylphenyl)-2-[1-[2-(N-(1-methylsulfonylpiperidin-4-yl)anilino)ethyl]piperidin-4-yl]acetamide?
N-(4-methylsulfonylphenyl)-2-[1-[2-(N-(1-methylsulfonylpiperidin-4-yl)anilino)ethyl]piperidin-4-yl]acetamide has a molecular weight of 576.79 g/mol, XLogP of 3.06, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-2-[1-[2-(N-(1-methylsulfonylpiperidin-4-yl)anilino)ethyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 42643608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).