2-methyl-5-(3-methylbut-2-en-2-yl)-4-propylthiophene-3-carboxamide

C14H21NOS — CID 156744946

IUPAC2-methyl-5-(3-methylbut-2-en-2-yl)-4-propylthiophene-3-carboxamide
SMILESCCCc1c(C(C)=C(C)C)sc(C)c1C(N)=O
InChIInChI=1S/C14H21NOS/c1-6-7-11-12(14(15)16)10(5)17-13(11)9(4)8(2)3/h6-7H2,1-5H3,(H2,15,16)
InChIKeyJYAMMIXGHRDTDE-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.92
Rot. Bonds4

About 2-methyl-5-(3-methylbut-2-en-2-yl)-4-propylthiophene-3-carboxamide

2-methyl-5-(3-methylbut-2-en-2-yl)-4-propylthiophene-3-carboxamide (PubChem CID 156744946) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-methyl-5-(3-methylbut-2-en-2-yl)-4-propylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-(3-methylbut-2-en-2-yl)-4-propylthiophene-3-carboxamide
PubChem CID156744946
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name2-methyl-5-(3-methylbut-2-en-2-yl)-4-propylthiophene-3-carboxamide
SMILESCCCc1c(C(C)=C(C)C)sc(C)c1C(N)=O
InChIInChI=1S/C14H21NOS/c1-6-7-11-12(14(15)16)10(5)17-13(11)9(4)8(2)3/h6-7H2,1-5H3,(H2,15,16)
InChIKeyJYAMMIXGHRDTDE-UHFFFAOYSA-N
XLogP3.92
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methylbut-2-en-2-yl)-4-propylthiophene-3-carboxamide?
The IUPAC name of 2-methyl-5-(3-methylbut-2-en-2-yl)-4-propylthiophene-3-carboxamide (CID 156744946) is 2-methyl-5-(3-methylbut-2-en-2-yl)-4-propylthiophene-3-carboxamide.
What is the SMILES notation for 2-methyl-5-(3-methylbut-2-en-2-yl)-4-propylthiophene-3-carboxamide?
The canonical SMILES for 2-methyl-5-(3-methylbut-2-en-2-yl)-4-propylthiophene-3-carboxamide is CCCc1c(C(C)=C(C)C)sc(C)c1C(N)=O.
What is the InChIKey of 2-methyl-5-(3-methylbut-2-en-2-yl)-4-propylthiophene-3-carboxamide?
The InChIKey is JYAMMIXGHRDTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-6-7-11-12(14(15)16)10(5)17-13(11)9(4)8(2)3/h6-7H2,1-5H3,(H2,15,16).
What are the key properties of 2-methyl-5-(3-methylbut-2-en-2-yl)-4-propylthiophene-3-carboxamide?
2-methyl-5-(3-methylbut-2-en-2-yl)-4-propylthiophene-3-carboxamide has a molecular weight of 251.39 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methylbut-2-en-2-yl)-4-propylthiophene-3-carboxamide is sourced from PubChem (CID 156744946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).