3,4-dichloro-N-[2-[(2-cyclopentylsulfonylacetyl)amino]ethyl]benzamide

C16H20Cl2N2O4S — CID 78883378

IUPAC3,4-dichloro-N-[2-[(2-cyclopentylsulfonylacetyl)amino]ethyl]benzamide
SMILESO=C(CS(=O)(=O)C1CCCC1)NCCNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H20Cl2N2O4S/c17-13-6-5-11(9-14(13)18)16(22)20-8-7-19-15(21)10-25(23,24)12-3-1-2-4-12/h5-6,9,12H,1-4,7-8,10H2,(H,19,21)(H,20,22)
InChIKeyZNSVAYAMEOOMHA-UHFFFAOYSA-N
MW407.32 g/mol
LogP2.20
Rot. Bonds7

About 3,4-dichloro-N-[2-[(2-cyclopentylsulfonylacetyl)amino]ethyl]benzamide

3,4-dichloro-N-[2-[(2-cyclopentylsulfonylacetyl)amino]ethyl]benzamide (PubChem CID 78883378) has the molecular formula C16H20Cl2N2O4S and a molecular weight of 407.32 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[(2-cyclopentylsulfonylacetyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[(2-cyclopentylsulfonylacetyl)amino]ethyl]benzamide
PubChem CID78883378
Molecular FormulaC16H20Cl2N2O4S
Molecular Weight407.32 g/mol
Exact Mass406.05
IUPAC Name3,4-dichloro-N-[2-[(2-cyclopentylsulfonylacetyl)amino]ethyl]benzamide
SMILESO=C(CS(=O)(=O)C1CCCC1)NCCNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H20Cl2N2O4S/c17-13-6-5-11(9-14(13)18)16(22)20-8-7-19-15(21)10-25(23,24)12-3-1-2-4-12/h5-6,9,12H,1-4,7-8,10H2,(H,19,21)(H,20,22)
InChIKeyZNSVAYAMEOOMHA-UHFFFAOYSA-N
XLogP2.20
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide
CID 115280931
3,4-dichloro-N-[2-(3-chloropropanoylamino)ethyl]benzamide
CID 108570669
3-[[4-[(2-cyclopentylsulfonylacetyl)amino]benzoyl]amino]propanoic acid
CID 119223026
3,4-dichloro-N-[2-(ethylsulfonylamino)ethyl]benzamide
CID 38426855
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-3,4-dichlorobenzamide
CID 108537881
N-[2-[acetyl(cycloheptyl)amino]ethyl]-3,4-dichlorobenzamide
CID 113056706
3,4-dichloro-N-[2-[[2-(4-methylphenyl)acetyl]amino]ethyl]benzamide
CID 38993458
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
3,4-dichloro-N-(4-oxocyclohexyl)benzamide
CID 43652866
3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
3,4-dichloro-N-[2-(1-cyclopropylethylcarbamoylamino)ethyl]benzamide
CID 167840904
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-1,1-dioxothiolane-3-carboxamide
CID 78868268

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[(2-cyclopentylsulfonylacetyl)amino]ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-[(2-cyclopentylsulfonylacetyl)amino]ethyl]benzamide (CID 78883378) is 3,4-dichloro-N-[2-[(2-cyclopentylsulfonylacetyl)amino]ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[(2-cyclopentylsulfonylacetyl)amino]ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-[(2-cyclopentylsulfonylacetyl)amino]ethyl]benzamide is O=C(CS(=O)(=O)C1CCCC1)NCCNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-[(2-cyclopentylsulfonylacetyl)amino]ethyl]benzamide?
The InChIKey is ZNSVAYAMEOOMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O4S/c17-13-6-5-11(9-14(13)18)16(22)20-8-7-19-15(21)10-25(23,24)12-3-1-2-4-12/h5-6,9,12H,1-4,7-8,10H2,(H,19,21)(H,20,22).
What are the key properties of 3,4-dichloro-N-[2-[(2-cyclopentylsulfonylacetyl)amino]ethyl]benzamide?
3,4-dichloro-N-[2-[(2-cyclopentylsulfonylacetyl)amino]ethyl]benzamide has a molecular weight of 407.32 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[(2-cyclopentylsulfonylacetyl)amino]ethyl]benzamide is sourced from PubChem (CID 78883378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).