N-(3,3-dimethylbutan-2-yl)-5-methylthiophene-3-carboxamide

C12H19NOS — CID 2970822

IUPACN-(3,3-dimethylbutan-2-yl)-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NC(C)C(C)(C)C)cs1
InChIInChI=1S/C12H19NOS/c1-8-6-10(7-15-8)11(14)13-9(2)12(3,4)5/h6-7,9H,1-5H3,(H,13,14)
InChIKeyUFGIWWHMRARPHK-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.22
Rot. Bonds2

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

N-(3,3-dimethylbutan-2-yl)-5-methylthiophene-3-carboxamide (PubChem CID 2970822) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-5-methylthiophene-3-carboxamide
PubChem CID2970822
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-(3,3-dimethylbutan-2-yl)-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NC(C)C(C)(C)C)cs1
InChIInChI=1S/C12H19NOS/c1-8-6-10(7-15-8)11(14)13-9(2)12(3,4)5/h6-7,9H,1-5H3,(H,13,14)
InChIKeyUFGIWWHMRARPHK-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.22
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)-5-methylthiophene-3-carboxamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-5-methylthiophene-3-carboxamide (CID 2970822) is N-(3,3-dimethylbutan-2-yl)-5-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-5-methylthiophene-3-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-5-methylthiophene-3-carboxamide is Cc1cc(C(=O)NC(C)C(C)(C)C)cs1.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-5-methylthiophene-3-carboxamide?
The InChIKey is UFGIWWHMRARPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-8-6-10(7-15-8)11(14)13-9(2)12(3,4)5/h6-7,9H,1-5H3,(H,13,14).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-5-methylthiophene-3-carboxamide?
N-(3,3-dimethylbutan-2-yl)-5-methylthiophene-3-carboxamide has a molecular weight of 225.36 g/mol, XLogP of 3.22, 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)-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 2970822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).