N-[2-[5-[3,3-dimethylbutan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide

C15H26N2O3S2 — CID 47068797

IUPACN-[2-[5-[3,3-dimethylbutan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(S(=O)(=O)N(C)C(C)C(C)(C)C)s1
InChIInChI=1S/C15H26N2O3S2/c1-11(15(3,4)5)17(6)22(19,20)14-8-7-13(21-14)9-10-16-12(2)18/h7-8,11H,9-10H2,1-6H3,(H,16,18)
InChIKeyGJWFKRMALYZGKJ-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.48
Rot. Bonds6

About N-[2-[5-[3,3-dimethylbutan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide

N-[2-[5-[3,3-dimethylbutan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide (PubChem CID 47068797) has the molecular formula C15H26N2O3S2 and a molecular weight of 346.52 g/mol. Its IUPAC name is N-[2-[5-[3,3-dimethylbutan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[3,3-dimethylbutan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
PubChem CID47068797
Molecular FormulaC15H26N2O3S2
Molecular Weight346.52 g/mol
Exact Mass346.14
IUPAC NameN-[2-[5-[3,3-dimethylbutan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(S(=O)(=O)N(C)C(C)C(C)(C)C)s1
InChIInChI=1S/C15H26N2O3S2/c1-11(15(3,4)5)17(6)22(19,20)14-8-7-13(21-14)9-10-16-12(2)18/h7-8,11H,9-10H2,1-6H3,(H,16,18)
InChIKeyGJWFKRMALYZGKJ-UHFFFAOYSA-N
XLogP2.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[3,3-dimethylbutan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-[3,3-dimethylbutan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide (CID 47068797) is N-[2-[5-[3,3-dimethylbutan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-[3,3-dimethylbutan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-[3,3-dimethylbutan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide is CC(=O)NCCc1ccc(S(=O)(=O)N(C)C(C)C(C)(C)C)s1.
What is the InChIKey of N-[2-[5-[3,3-dimethylbutan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide?
The InChIKey is GJWFKRMALYZGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S2/c1-11(15(3,4)5)17(6)22(19,20)14-8-7-13(21-14)9-10-16-12(2)18/h7-8,11H,9-10H2,1-6H3,(H,16,18).
What are the key properties of N-[2-[5-[3,3-dimethylbutan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide?
N-[2-[5-[3,3-dimethylbutan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide has a molecular weight of 346.52 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[3,3-dimethylbutan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide is sourced from PubChem (CID 47068797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).