N-(3,3-dimethylbutan-2-yl)-4,5-dimethylthiophene-3-carboxamide

C13H21NOS — CID 17217413

IUPACN-(3,3-dimethylbutan-2-yl)-4,5-dimethylthiophene-3-carboxamide
SMILESCc1scc(C(=O)NC(C)C(C)(C)C)c1C
InChIInChI=1S/C13H21NOS/c1-8-9(2)16-7-11(8)12(15)14-10(3)13(4,5)6/h7,10H,1-6H3,(H,14,15)
InChIKeyJDLRQBLOPSVLQS-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.53
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-4,5-dimethylthiophene-3-carboxamide

N-(3,3-dimethylbutan-2-yl)-4,5-dimethylthiophene-3-carboxamide (PubChem CID 17217413) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-4,5-dimethylthiophene-3-carboxamide
PubChem CID17217413
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-(3,3-dimethylbutan-2-yl)-4,5-dimethylthiophene-3-carboxamide
SMILESCc1scc(C(=O)NC(C)C(C)(C)C)c1C
InChIInChI=1S/C13H21NOS/c1-8-9(2)16-7-11(8)12(15)14-10(3)13(4,5)6/h7,10H,1-6H3,(H,14,15)
InChIKeyJDLRQBLOPSVLQS-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-4,5-dimethylthiophene-3-carboxamide (CID 17217413) is N-(3,3-dimethylbutan-2-yl)-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-4,5-dimethylthiophene-3-carboxamide is Cc1scc(C(=O)NC(C)C(C)(C)C)c1C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is JDLRQBLOPSVLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-8-9(2)16-7-11(8)12(15)14-10(3)13(4,5)6/h7,10H,1-6H3,(H,14,15).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-4,5-dimethylthiophene-3-carboxamide?
N-(3,3-dimethylbutan-2-yl)-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 239.38 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 17217413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).