N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]thiophene-2-sulfonamide

C18H25N3O5S3 — CID 3917496

IUPACN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]thiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C18H25N3O5S3/c1-3-21(4-2)29(24,25)15-7-8-17(20-9-11-26-12-10-20)16(14-15)19-28(22,23)18-6-5-13-27-18/h5-8,13-14,19H,3-4,9-12H2,1-2H3
InChIKeyVMKVELYXMZRION-UHFFFAOYSA-N
MW459.62 g/mol
LogP2.42
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]thiophene-2-sulfonamide

N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]thiophene-2-sulfonamide (PubChem CID 3917496) has the molecular formula C18H25N3O5S3 and a molecular weight of 459.62 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]thiophene-2-sulfonamide
PubChem CID3917496
Molecular FormulaC18H25N3O5S3
Molecular Weight459.62 g/mol
Exact Mass459.10
IUPAC NameN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]thiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C18H25N3O5S3/c1-3-21(4-2)29(24,25)15-7-8-17(20-9-11-26-12-10-20)16(14-15)19-28(22,23)18-6-5-13-27-18/h5-8,13-14,19H,3-4,9-12H2,1-2H3
InChIKeyVMKVELYXMZRION-UHFFFAOYSA-N
XLogP2.42
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.62
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

MK6-83
CID 18191179
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide
CID 4102643
N-(2-morpholin-4-ylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 2084205
N-[4-(dimethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 2510848
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide
CID 4284114
N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide
CID 4840256
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide
CID 5198517
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-sulfonamide
CID 5217911
N-(3-morpholin-4-ylsulfonylphenyl)thiophene-2-sulfonamide
CID 7939270
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 16261541
[2-[2-(Diethylamino)-5-morpholin-4-ylsulfonylanilino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 24817976
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 24982991

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]thiophene-2-sulfonamide (CID 3917496) is N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]thiophene-2-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]thiophene-2-sulfonamide?
The InChIKey is VMKVELYXMZRION-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5S3/c1-3-21(4-2)29(24,25)15-7-8-17(20-9-11-26-12-10-20)16(14-15)19-28(22,23)18-6-5-13-27-18/h5-8,13-14,19H,3-4,9-12H2,1-2H3.
What are the key properties of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]thiophene-2-sulfonamide?
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]thiophene-2-sulfonamide has a molecular weight of 459.62 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 3917496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).