N-(3,3-dimethylbutylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide

C14H23NO3S2 — CID 86944031

IUPACN-(3,3-dimethylbutylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)NS(=O)(=O)CCC(C)(C)C)cc1C
InChIInChI=1S/C14H23NO3S2/c1-6-11-10(2)9-12(19-11)13(16)15-20(17,18)8-7-14(3,4)5/h9H,6-8H2,1-5H3,(H,15,16)
InChIKeyAZKMSBUQQNTUIG-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.11
Rot. Bonds5

About N-(3,3-dimethylbutylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide

N-(3,3-dimethylbutylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide (PubChem CID 86944031) has the molecular formula C14H23NO3S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-(3,3-dimethylbutylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide
PubChem CID86944031
Molecular FormulaC14H23NO3S2
Molecular Weight317.48 g/mol
Exact Mass317.11
IUPAC NameN-(3,3-dimethylbutylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)NS(=O)(=O)CCC(C)(C)C)cc1C
InChIInChI=1S/C14H23NO3S2/c1-6-11-10(2)9-12(19-11)13(16)15-20(17,18)8-7-14(3,4)5/h9H,6-8H2,1-5H3,(H,15,16)
InChIKeyAZKMSBUQQNTUIG-UHFFFAOYSA-N
XLogP3.11
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Benzylsulfamoyl)thiophene-2-carboxamide
CID 6486045
4-{[(2-Phenylethyl)amino]sulfonyl}-2-thiophenecarboxamide
CID 6486061
4-{[(3-Phenylpropyl)amino]sulfonyl}thiophene-2-carboxamide
CID 20900815
4-{[(3-Methylphenyl)methyl]sulfamoyl}thiophene-2-carboxamide
CID 16025141
N-(thiophene-2-sulfonyl)benzamide
CID 738706
4-[Benzyl(ethyl)sulfamoyl]thiophene-2-carboxamide
CID 20900842
4-[2-(4-Methylsulfanylphenyl)ethylsulfamoyl]thiophene-2-carboxamide
CID 20937326
4-[Benzyl(methyl)sulfamoyl]thiophene-2-carboxamide
CID 6486033
4-(5-Sulfamoylthiophen-2-yl)sulfonylbenzamide
CID 12736905
4-(1-Phenylbutan-2-ylsulfamoyl)thiophene-2-carboxamide
CID 20900837
N-[(E)-2-phenylethenyl]sulfonylthiophene-2-carboxamide
CID 47233291
4-(4-fluorophenyl)-5-methyl-N-methylsulfonylthiophene-2-carboxamide
CID 71855389

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(3,3-dimethylbutylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide (CID 86944031) is N-(3,3-dimethylbutylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)NS(=O)(=O)CCC(C)(C)C)cc1C.
What is the InChIKey of N-(3,3-dimethylbutylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide?
The InChIKey is AZKMSBUQQNTUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S2/c1-6-11-10(2)9-12(19-11)13(16)15-20(17,18)8-7-14(3,4)5/h9H,6-8H2,1-5H3,(H,15,16).
What are the key properties of N-(3,3-dimethylbutylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide?
N-(3,3-dimethylbutylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide has a molecular weight of 317.48 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 86944031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).