4-chloro-N-[[5-[3-[hexyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]benzamide

C22H32ClN3O3S2 — CID 10227995

IUPAC4-chloro-N-[[5-[3-[hexyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]benzamide
SMILESCCCCCCN(C)CCCNS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C22H32ClN3O3S2/c1-3-4-5-6-15-26(2)16-7-14-25-31(28,29)21-13-12-20(30-21)17-24-22(27)18-8-10-19(23)11-9-18/h8-13,25H,3-7,14-17H2,1-2H3,(H,24,27)
InChIKeyIYIOMWBHEHMAQN-UHFFFAOYSA-N
MW486.10 g/mol
LogP4.51
Rot. Bonds14

About 4-chloro-N-[[5-[3-[hexyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]benzamide

4-chloro-N-[[5-[3-[hexyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]benzamide (PubChem CID 10227995) has the molecular formula C22H32ClN3O3S2 and a molecular weight of 486.10 g/mol. Its IUPAC name is 4-chloro-N-[[5-[3-[hexyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[5-[3-[hexyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]benzamide
PubChem CID10227995
Molecular FormulaC22H32ClN3O3S2
Molecular Weight486.10 g/mol
Exact Mass485.16
IUPAC Name4-chloro-N-[[5-[3-[hexyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]benzamide
SMILESCCCCCCN(C)CCCNS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C22H32ClN3O3S2/c1-3-4-5-6-15-26(2)16-7-14-25-31(28,29)21-13-12-20(30-21)17-24-22(27)18-8-10-19(23)11-9-18/h8-13,25H,3-7,14-17H2,1-2H3,(H,24,27)
InChIKeyIYIOMWBHEHMAQN-UHFFFAOYSA-N
XLogP4.51
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.10
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[[5-[[6-[3-[4-[3-(ethylamino)propylamino]butylamino]propylamino]-6-oxohexyl]sulfamoyl]thiophen-2-yl]methyl]benzamide
CID 70805774
butane;4-chloro-N-[[5-[[2,2-dimethyl-3-(methylamino)propyl]sulfamoyl]thiophen-2-yl]methyl]benzamide;propane
CID 142208051
N-[[5-[3-[benzyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55435788
N-[[5-[4-[benzyl(hexyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide
CID 57443944
4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 109058697
4-chloro-N-[[5-[4-(heptylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 10301851
4-chloro-N-[[5-[4-(octylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(pentylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 161299912
N-[[5-[4-(butylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide;4-chloro-N-[[5-[4-(pentylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 159352689
4-chloro-N-[[5-[3-(2-ethylhexylamino)pyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[3-(octylamino)pyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 158023942
5-chloro-N-heptylthiophene-2-sulfonamide
CID 19681281
acetonitrile;N-[[5-[4-(butylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide
CID 69025617
1-(4-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-one
CID 62619023

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[5-[3-[hexyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[5-[3-[hexyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]benzamide (CID 10227995) is 4-chloro-N-[[5-[3-[hexyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[5-[3-[hexyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[5-[3-[hexyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]benzamide is CCCCCCN(C)CCCNS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 4-chloro-N-[[5-[3-[hexyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]benzamide?
The InChIKey is IYIOMWBHEHMAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32ClN3O3S2/c1-3-4-5-6-15-26(2)16-7-14-25-31(28,29)21-13-12-20(30-21)17-24-22(27)18-8-10-19(23)11-9-18/h8-13,25H,3-7,14-17H2,1-2H3,(H,24,27).
What are the key properties of 4-chloro-N-[[5-[3-[hexyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]benzamide?
4-chloro-N-[[5-[3-[hexyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]benzamide has a molecular weight of 486.10 g/mol, XLogP of 4.51, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[5-[3-[hexyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 10227995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).