3-[(4-chlorophenyl)sulfonylamino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide

C20H26ClN3O6S2 — CID 17225707

IUPAC3-[(4-chlorophenyl)sulfonylamino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H26ClN3O6S2/c1-4-24(5-2)32(28,29)17-10-11-19(30-3)18(14-17)23-20(25)12-13-22-31(26,27)16-8-6-15(21)7-9-16/h6-11,14,22H,4-5,12-13H2,1-3H3,(H,23,25)
InChIKeyVMFIMPBTFQSCDA-UHFFFAOYSA-N
MW504.03 g/mol
LogP2.69
Rot. Bonds11

About 3-[(4-chlorophenyl)sulfonylamino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide

3-[(4-chlorophenyl)sulfonylamino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide (PubChem CID 17225707) has the molecular formula C20H26ClN3O6S2 and a molecular weight of 504.03 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
PubChem CID17225707
Molecular FormulaC20H26ClN3O6S2
Molecular Weight504.03 g/mol
Exact Mass503.10
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H26ClN3O6S2/c1-4-24(5-2)32(28,29)17-10-11-19(30-3)18(14-17)23-20(25)12-13-22-31(26,27)16-8-6-15(21)7-9-16/h6-11,14,22H,4-5,12-13H2,1-3H3,(H,23,25)
InChIKeyVMFIMPBTFQSCDA-UHFFFAOYSA-N
XLogP2.69
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.03
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 17225629
N-(5-acetamido-2-methoxyphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 17481718
N-(5-chloro-2-methoxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 26582388
3-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 19237299
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CID 24510593
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-methylsulfanylacetamide
CID 17407665
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethoxyacetamide
CID 2947470
N-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 45373402
4-(4-chlorophenoxy)-N-[[5-(diethylsulfamoyl)-2-methoxyphenyl]carbamothioyl]butanamide
CID 19188919
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 27245718
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602596
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(2-nitroanilino)propanamide
CID 16962374

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide (CID 17225707) is 3-[(4-chlorophenyl)sulfonylamino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide?
The InChIKey is VMFIMPBTFQSCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O6S2/c1-4-24(5-2)32(28,29)17-10-11-19(30-3)18(14-17)23-20(25)12-13-22-31(26,27)16-8-6-15(21)7-9-16/h6-11,14,22H,4-5,12-13H2,1-3H3,(H,23,25).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide?
3-[(4-chlorophenyl)sulfonylamino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide has a molecular weight of 504.03 g/mol, XLogP of 2.69, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide is sourced from PubChem (CID 17225707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).