7-[3-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide

C19H18N2O2S — CID 142838844

IUPAC7-[3-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide
SMILESCC(C)C(=O)Nc1cccc(-c2cccc3cc(C(N)=O)sc23)c1
InChIInChI=1S/C19H18N2O2S/c1-11(2)19(23)21-14-7-3-5-12(9-14)15-8-4-6-13-10-16(18(20)22)24-17(13)15/h3-11H,1-2H3,(H2,20,22)(H,21,23)
InChIKeyDYEGRVRMNZVIGV-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.26
Rot. Bonds4

About 7-[3-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide

7-[3-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 142838844) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 7-[3-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name7-[3-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide
PubChem CID142838844
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name7-[3-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide
SMILESCC(C)C(=O)Nc1cccc(-c2cccc3cc(C(N)=O)sc23)c1
InChIInChI=1S/C19H18N2O2S/c1-11(2)19(23)21-14-7-3-5-12(9-14)15-8-4-6-13-10-16(18(20)22)24-17(13)15/h3-11H,1-2H3,(H2,20,22)(H,21,23)
InChIKeyDYEGRVRMNZVIGV-UHFFFAOYSA-N
XLogP4.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 7-[3-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide (CID 142838844) is 7-[3-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 7-[3-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 7-[3-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide is CC(C)C(=O)Nc1cccc(-c2cccc3cc(C(N)=O)sc23)c1.
What is the InChIKey of 7-[3-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is DYEGRVRMNZVIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-11(2)19(23)21-14-7-3-5-12(9-14)15-8-4-6-13-10-16(18(20)22)24-17(13)15/h3-11H,1-2H3,(H2,20,22)(H,21,23).
What are the key properties of 7-[3-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide?
7-[3-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 142838844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).