N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]acetamide

C17H28N4O5S2 — CID 55605980

IUPACN-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C17H28N4O5S2/c1-19(2)16-9-8-14(28(25,26)21-10-6-5-7-11-21)12-15(16)18-17(22)13-20(3)27(4,23)24/h8-9,12H,5-7,10-11,13H2,1-4H3,(H,18,22)
InChIKeyRDTBHUWZBGIDLA-UHFFFAOYSA-N
MW432.57 g/mol
LogP0.76
Rot. Bonds7

About N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]acetamide

N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 55605980) has the molecular formula C17H28N4O5S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID55605980
Molecular FormulaC17H28N4O5S2
Molecular Weight432.57 g/mol
Exact Mass432.15
IUPAC NameN-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C17H28N4O5S2/c1-19(2)16-9-8-14(28(25,26)21-10-6-5-7-11-21)12-15(16)18-17(22)13-20(3)27(4,23)24/h8-9,12H,5-7,10-11,13H2,1-4H3,(H,18,22)
InChIKeyRDTBHUWZBGIDLA-UHFFFAOYSA-N
XLogP0.76
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]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

N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]cyclopropanecarboxamide
CID 26292561
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-phenoxybutanamide
CID 33297350
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(furan-2-yl)propanamide
CID 33297922
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 24980261
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 25336526
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4818859
2-chloro-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-5-methylsulfanylbenzamide
CID 26292598
N-[3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-3-oxopropyl]-3-methylbenzamide
CID 26292461
1-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(2-ethylphenyl)thiourea
CID 55426927
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-nitrobenzamide
CID 4820711
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 100635331
4-(diethylaminomethyl)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]benzamide
CID 55666676

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]acetamide (CID 55605980) is N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]acetamide is CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)S(C)(=O)=O.
What is the InChIKey of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is RDTBHUWZBGIDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O5S2/c1-19(2)16-9-8-14(28(25,26)21-10-6-5-7-11-21)12-15(16)18-17(22)13-20(3)27(4,23)24/h8-9,12H,5-7,10-11,13H2,1-4H3,(H,18,22).
What are the key properties of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]acetamide?
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 432.57 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 55605980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).