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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
CID 119281775
2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748693
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096
N-[3-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43699994
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966
2-(3-chlorophenyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55609828
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 881883
2-methyl-N-[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 3499762
7-amino-4-(3-benzamidophenyl)thieno[2,3-c]pyridine-2-carboxamide
CID 76852981
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-[3-(2-methylpropanoylamino)phenyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 67314782
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
CID 763445
N-[3-(2-methylpropanoylamino)phenyl]-4-phenylbenzamide
CID 1332956

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).