5-[5-(diethylsulfamoyl)thiophen-2-yl]-N,N-diethylthiophene-2-sulfonamide

C16H24N2O4S4 — CID 2739888

IUPAC5-[5-(diethylsulfamoyl)thiophen-2-yl]-N,N-diethylthiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N(CC)CC)s2)s1
InChIInChI=1S/C16H24N2O4S4/c1-5-17(6-2)25(19,20)15-11-9-13(23-15)14-10-12-16(24-14)26(21,22)18(7-3)8-4/h9-12H,5-8H2,1-4H3
InChIKeyDQKXSNSENLQSRW-UHFFFAOYSA-N
MW436.65 g/mol
LogP3.54
Rot. Bonds9

About 5-[5-(diethylsulfamoyl)thiophen-2-yl]-N,N-diethylthiophene-2-sulfonamide

5-[5-(diethylsulfamoyl)thiophen-2-yl]-N,N-diethylthiophene-2-sulfonamide (PubChem CID 2739888) has the molecular formula C16H24N2O4S4 and a molecular weight of 436.65 g/mol. Its IUPAC name is 5-[5-(diethylsulfamoyl)thiophen-2-yl]-N,N-diethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[5-(diethylsulfamoyl)thiophen-2-yl]-N,N-diethylthiophene-2-sulfonamide
PubChem CID2739888
Molecular FormulaC16H24N2O4S4
Molecular Weight436.65 g/mol
Exact Mass436.06
IUPAC Name5-[5-(diethylsulfamoyl)thiophen-2-yl]-N,N-diethylthiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N(CC)CC)s2)s1
InChIInChI=1S/C16H24N2O4S4/c1-5-17(6-2)25(19,20)15-11-9-13(23-15)14-10-12-16(24-14)26(21,22)18(7-3)8-4/h9-12H,5-8H2,1-4H3
InChIKeyDQKXSNSENLQSRW-UHFFFAOYSA-N
XLogP3.54
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.65
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(diethylsulfamoyl)thiophen-2-yl]-N,N-diethylthiophene-2-sulfonamide?
The IUPAC name of 5-[5-(diethylsulfamoyl)thiophen-2-yl]-N,N-diethylthiophene-2-sulfonamide (CID 2739888) is 5-[5-(diethylsulfamoyl)thiophen-2-yl]-N,N-diethylthiophene-2-sulfonamide.
What is the SMILES notation for 5-[5-(diethylsulfamoyl)thiophen-2-yl]-N,N-diethylthiophene-2-sulfonamide?
The canonical SMILES for 5-[5-(diethylsulfamoyl)thiophen-2-yl]-N,N-diethylthiophene-2-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N(CC)CC)s2)s1.
What is the InChIKey of 5-[5-(diethylsulfamoyl)thiophen-2-yl]-N,N-diethylthiophene-2-sulfonamide?
The InChIKey is DQKXSNSENLQSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S4/c1-5-17(6-2)25(19,20)15-11-9-13(23-15)14-10-12-16(24-14)26(21,22)18(7-3)8-4/h9-12H,5-8H2,1-4H3.
What are the key properties of 5-[5-(diethylsulfamoyl)thiophen-2-yl]-N,N-diethylthiophene-2-sulfonamide?
5-[5-(diethylsulfamoyl)thiophen-2-yl]-N,N-diethylthiophene-2-sulfonamide has a molecular weight of 436.65 g/mol, XLogP of 3.54, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(diethylsulfamoyl)thiophen-2-yl]-N,N-diethylthiophene-2-sulfonamide is sourced from PubChem (CID 2739888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).