N-methyl-5-prop-1-en-2-yl-1-benzothiophene-2-carboxamide

C13H13NOS — CID 143033342

IUPACN-methyl-5-prop-1-en-2-yl-1-benzothiophene-2-carboxamide
SMILESC=C(C)c1ccc2sc(C(=O)NC)cc2c1
InChIInChI=1S/C13H13NOS/c1-8(2)9-4-5-11-10(6-9)7-12(16-11)13(15)14-3/h4-7H,1H2,2-3H3,(H,14,15)
InChIKeyWDFIJIDQULOEHI-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.29
Rot. Bonds2

About N-methyl-5-prop-1-en-2-yl-1-benzothiophene-2-carboxamide

N-methyl-5-prop-1-en-2-yl-1-benzothiophene-2-carboxamide (PubChem CID 143033342) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is N-methyl-5-prop-1-en-2-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-prop-1-en-2-yl-1-benzothiophene-2-carboxamide
PubChem CID143033342
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC NameN-methyl-5-prop-1-en-2-yl-1-benzothiophene-2-carboxamide
SMILESC=C(C)c1ccc2sc(C(=O)NC)cc2c1
InChIInChI=1S/C13H13NOS/c1-8(2)9-4-5-11-10(6-9)7-12(16-11)13(15)14-3/h4-7H,1H2,2-3H3,(H,14,15)
InChIKeyWDFIJIDQULOEHI-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-prop-1-en-2-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-methyl-5-prop-1-en-2-yl-1-benzothiophene-2-carboxamide (CID 143033342) is N-methyl-5-prop-1-en-2-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-methyl-5-prop-1-en-2-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-methyl-5-prop-1-en-2-yl-1-benzothiophene-2-carboxamide is C=C(C)c1ccc2sc(C(=O)NC)cc2c1.
What is the InChIKey of N-methyl-5-prop-1-en-2-yl-1-benzothiophene-2-carboxamide?
The InChIKey is WDFIJIDQULOEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-8(2)9-4-5-11-10(6-9)7-12(16-11)13(15)14-3/h4-7H,1H2,2-3H3,(H,14,15).
What are the key properties of N-methyl-5-prop-1-en-2-yl-1-benzothiophene-2-carboxamide?
N-methyl-5-prop-1-en-2-yl-1-benzothiophene-2-carboxamide has a molecular weight of 231.32 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-prop-1-en-2-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 143033342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).