5-[(3-chlorophenyl)methylsulfonylmethyl]-N-[3-[cyclohexyl(methyl)amino]propyl]furan-2-carboxamide

C23H31ClN2O4S — CID 20968743

IUPAC5-[(3-chlorophenyl)methylsulfonylmethyl]-N-[3-[cyclohexyl(methyl)amino]propyl]furan-2-carboxamide
SMILESCN(CCCNC(=O)c1ccc(CS(=O)(=O)Cc2cccc(Cl)c2)o1)C1CCCCC1
InChIInChI=1S/C23H31ClN2O4S/c1-26(20-9-3-2-4-10-20)14-6-13-25-23(27)22-12-11-21(30-22)17-31(28,29)16-18-7-5-8-19(24)15-18/h5,7-8,11-12,15,20H,2-4,6,9-10,13-14,16-17H2,1H3,(H,25,27)
InChIKeyGNZFZPDNUVTKEJ-UHFFFAOYSA-N
MW467.03 g/mol
LogP4.43
Rot. Bonds10

About 5-[(3-chlorophenyl)methylsulfonylmethyl]-N-[3-[cyclohexyl(methyl)amino]propyl]furan-2-carboxamide

5-[(3-chlorophenyl)methylsulfonylmethyl]-N-[3-[cyclohexyl(methyl)amino]propyl]furan-2-carboxamide (PubChem CID 20968743) has the molecular formula C23H31ClN2O4S and a molecular weight of 467.03 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methylsulfonylmethyl]-N-[3-[cyclohexyl(methyl)amino]propyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methylsulfonylmethyl]-N-[3-[cyclohexyl(methyl)amino]propyl]furan-2-carboxamide
PubChem CID20968743
Molecular FormulaC23H31ClN2O4S
Molecular Weight467.03 g/mol
Exact Mass466.17
IUPAC Name5-[(3-chlorophenyl)methylsulfonylmethyl]-N-[3-[cyclohexyl(methyl)amino]propyl]furan-2-carboxamide
SMILESCN(CCCNC(=O)c1ccc(CS(=O)(=O)Cc2cccc(Cl)c2)o1)C1CCCCC1
InChIInChI=1S/C23H31ClN2O4S/c1-26(20-9-3-2-4-10-20)14-6-13-25-23(27)22-12-11-21(30-22)17-31(28,29)16-18-7-5-8-19(24)15-18/h5,7-8,11-12,15,20H,2-4,6,9-10,13-14,16-17H2,1H3,(H,25,27)
InChIKeyGNZFZPDNUVTKEJ-UHFFFAOYSA-N
XLogP4.43
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.03
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-chlorophenyl)methylsulfonylmethyl]-N-[3-(3-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 20968740
N-butyl-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide
CID 4107785
N-(3-ethoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide
CID 3241769
5-[(3-methylphenyl)methylsulfonylmethyl]-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]furan-2-carboxamide
CID 4107780
N-[2-(diethylamino)ethyl]-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide
CID 4107619
diethyl-[3-[[5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carbonyl]amino]propyl]azanium
CID 4107788
5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 4084510
5-[(3-chlorophenyl)methyl]-N-[3-[cyclohexyl(methyl)amino]propyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 56680548
5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 5203089
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide
CID 60981646
5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide
CID 5174076
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119851139

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methylsulfonylmethyl]-N-[3-[cyclohexyl(methyl)amino]propyl]furan-2-carboxamide?
The IUPAC name of 5-[(3-chlorophenyl)methylsulfonylmethyl]-N-[3-[cyclohexyl(methyl)amino]propyl]furan-2-carboxamide (CID 20968743) is 5-[(3-chlorophenyl)methylsulfonylmethyl]-N-[3-[cyclohexyl(methyl)amino]propyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(3-chlorophenyl)methylsulfonylmethyl]-N-[3-[cyclohexyl(methyl)amino]propyl]furan-2-carboxamide?
The canonical SMILES for 5-[(3-chlorophenyl)methylsulfonylmethyl]-N-[3-[cyclohexyl(methyl)amino]propyl]furan-2-carboxamide is CN(CCCNC(=O)c1ccc(CS(=O)(=O)Cc2cccc(Cl)c2)o1)C1CCCCC1.
What is the InChIKey of 5-[(3-chlorophenyl)methylsulfonylmethyl]-N-[3-[cyclohexyl(methyl)amino]propyl]furan-2-carboxamide?
The InChIKey is GNZFZPDNUVTKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN2O4S/c1-26(20-9-3-2-4-10-20)14-6-13-25-23(27)22-12-11-21(30-22)17-31(28,29)16-18-7-5-8-19(24)15-18/h5,7-8,11-12,15,20H,2-4,6,9-10,13-14,16-17H2,1H3,(H,25,27).
What are the key properties of 5-[(3-chlorophenyl)methylsulfonylmethyl]-N-[3-[cyclohexyl(methyl)amino]propyl]furan-2-carboxamide?
5-[(3-chlorophenyl)methylsulfonylmethyl]-N-[3-[cyclohexyl(methyl)amino]propyl]furan-2-carboxamide has a molecular weight of 467.03 g/mol, XLogP of 4.43, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methylsulfonylmethyl]-N-[3-[cyclohexyl(methyl)amino]propyl]furan-2-carboxamide is sourced from PubChem (CID 20968743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).