N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-5-methylthiophene-2-sulfonamide

C18H27N3O4S3 — CID 24580768

IUPACN-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-5-methylthiophene-2-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NS(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C18H27N3O4S3/c1-5-12-19-16-10-9-15(28(24,25)21(6-2)7-3)13-17(16)20-27(22,23)18-11-8-14(4)26-18/h8-11,13,19-20H,5-7,12H2,1-4H3
InChIKeyRKPHAJYLSGOPIX-UHFFFAOYSA-N
MW445.63 g/mol
LogP3.71
Rot. Bonds10

About N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-5-methylthiophene-2-sulfonamide

N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-5-methylthiophene-2-sulfonamide (PubChem CID 24580768) has the molecular formula C18H27N3O4S3 and a molecular weight of 445.63 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-5-methylthiophene-2-sulfonamide
PubChem CID24580768
Molecular FormulaC18H27N3O4S3
Molecular Weight445.63 g/mol
Exact Mass445.12
IUPAC NameN-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-5-methylthiophene-2-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NS(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C18H27N3O4S3/c1-5-12-19-16-10-9-15(28(24,25)21(6-2)7-3)13-17(16)20-27(22,23)18-11-8-14(4)26-18/h8-11,13,19-20H,5-7,12H2,1-4H3
InChIKeyRKPHAJYLSGOPIX-UHFFFAOYSA-N
XLogP3.71
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.63
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2,5-difluorobenzenesulfonamide
CID 24580769
N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 24580765
N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119685367
N,N-diethyl-3-(methanesulfonamido)-4-methylbenzenesulfonamide
CID 167869389
5-bromo-N-[4-(diethylsulfamoyl)phenyl]thiophene-2-sulfonamide
CID 2206115
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 5181058
N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-6-methylpyridine-3-carboxamide
CID 25332105
2-methyl-5-nitro-N-[2-(propylamino)-5-sulfamoylphenyl]benzenesulfonamide
CID 30868360
N,N-diethyl-3-[(2-nitrophenyl)methylamino]-4-(propylamino)benzenesulfonamide
CID 78825367
N,N-diethyl-4-(propylamino)-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethylamino)benzenesulfonamide
CID 86901841
5-methyl-N-[4-(pentylamino)phenyl]thiophene-2-sulfonamide
CID 112985267
N,N-diethyl-5-nitro-2-(propylamino)benzenesulfonamide
CID 60634187

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-5-methylthiophene-2-sulfonamide (CID 24580768) is N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-5-methylthiophene-2-sulfonamide is CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NS(=O)(=O)c1ccc(C)s1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is RKPHAJYLSGOPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S3/c1-5-12-19-16-10-9-15(28(24,25)21(6-2)7-3)13-17(16)20-27(22,23)18-11-8-14(4)26-18/h8-11,13,19-20H,5-7,12H2,1-4H3.
What are the key properties of N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-5-methylthiophene-2-sulfonamide?
N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 445.63 g/mol, XLogP of 3.71, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 24580768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).