N-[(4,5-dimethylthiophen-2-yl)methyl]-N,2,2-trimethylbutanamide

C14H23NOS — CID 121446771

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1cc(C)c(C)s1
InChIInChI=1S/C14H23NOS/c1-7-14(4,5)13(16)15(6)9-12-8-10(2)11(3)17-12/h8H,7,9H2,1-6H3
InChIKeyUBQHRFNXAKQJSX-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.76
Rot. Bonds4

About N-[(4,5-dimethylthiophen-2-yl)methyl]-N,2,2-trimethylbutanamide

N-[(4,5-dimethylthiophen-2-yl)methyl]-N,2,2-trimethylbutanamide (PubChem CID 121446771) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-N,2,2-trimethylbutanamide.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-N,2,2-trimethylbutanamide
PubChem CID121446771
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1cc(C)c(C)s1
InChIInChI=1S/C14H23NOS/c1-7-14(4,5)13(16)15(6)9-12-8-10(2)11(3)17-12/h8H,7,9H2,1-6H3
InChIKeyUBQHRFNXAKQJSX-UHFFFAOYSA-N
XLogP3.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-N,2,2-trimethylbutanamide?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-N,2,2-trimethylbutanamide (CID 121446771) is N-[(4,5-dimethylthiophen-2-yl)methyl]-N,2,2-trimethylbutanamide.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-N,2,2-trimethylbutanamide?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-N,2,2-trimethylbutanamide is CCC(C)(C)C(=O)N(C)Cc1cc(C)c(C)s1.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-N,2,2-trimethylbutanamide?
The InChIKey is UBQHRFNXAKQJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-7-14(4,5)13(16)15(6)9-12-8-10(2)11(3)17-12/h8H,7,9H2,1-6H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-N,2,2-trimethylbutanamide?
N-[(4,5-dimethylthiophen-2-yl)methyl]-N,2,2-trimethylbutanamide has a molecular weight of 253.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-N,2,2-trimethylbutanamide is sourced from PubChem (CID 121446771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).