N-[3-(tert-butylsulfamoyl)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide

C18H24N2O3S2 — CID 9371915

IUPACN-[3-(tert-butylsulfamoyl)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1C
InChIInChI=1S/C18H24N2O3S2/c1-6-15-12(2)10-16(24-15)17(21)19-13-8-7-9-14(11-13)25(22,23)20-18(3,4)5/h7-11,20H,6H2,1-5H3,(H,19,21)
InChIKeyZKAKAYYIIGPJNX-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.95
Rot. Bonds5

About N-[3-(tert-butylsulfamoyl)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide

N-[3-(tert-butylsulfamoyl)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide (PubChem CID 9371915) has the molecular formula C18H24N2O3S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is N-[3-(tert-butylsulfamoyl)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(tert-butylsulfamoyl)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
PubChem CID9371915
Molecular FormulaC18H24N2O3S2
Molecular Weight380.54 g/mol
Exact Mass380.12
IUPAC NameN-[3-(tert-butylsulfamoyl)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1C
InChIInChI=1S/C18H24N2O3S2/c1-6-15-12(2)10-16(24-15)17(21)19-13-8-7-9-14(11-13)25(22,23)20-18(3,4)5/h7-11,20H,6H2,1-5H3,(H,19,21)
InChIKeyZKAKAYYIIGPJNX-UHFFFAOYSA-N
XLogP3.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide (CID 9371915) is N-[3-(tert-butylsulfamoyl)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(tert-butylsulfamoyl)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(tert-butylsulfamoyl)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1C.
What is the InChIKey of N-[3-(tert-butylsulfamoyl)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide?
The InChIKey is ZKAKAYYIIGPJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S2/c1-6-15-12(2)10-16(24-15)17(21)19-13-8-7-9-14(11-13)25(22,23)20-18(3,4)5/h7-11,20H,6H2,1-5H3,(H,19,21).
What are the key properties of N-[3-(tert-butylsulfamoyl)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide?
N-[3-(tert-butylsulfamoyl)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide has a molecular weight of 380.54 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylsulfamoyl)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 9371915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).