N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide

C17H15NO3S — CID 27844583

IUPACN-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc3ccccc3s2)c1
InChIInChI=1S/C17H15NO3S/c1-20-12-7-8-14(21-2)13(10-12)18-17(19)16-9-11-5-3-4-6-15(11)22-16/h3-10H,1-2H3,(H,18,19)
InChIKeyOGRQZHYVUXRCMX-UHFFFAOYSA-N
MW313.38 g/mol
LogP4.17
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide

N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide (PubChem CID 27844583) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide
PubChem CID27844583
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC NameN-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc3ccccc3s2)c1
InChIInChI=1S/C17H15NO3S/c1-20-12-7-8-14(21-2)13(10-12)18-17(19)16-9-11-5-3-4-6-15(11)22-16/h3-10H,1-2H3,(H,18,19)
InChIKeyOGRQZHYVUXRCMX-UHFFFAOYSA-N
XLogP4.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 24673618
N-(2,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 4011159
N-(2,5-dimethoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 2348568
5-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 17246848
5-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 99938718
N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 51250610
N-(2,5-dimethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 46460468
N-(2,5-dimethoxyphenyl)isoquinoline-3-carboxamide
CID 110860541
N-(2,5-dimethoxyphenyl)-5-methylsulfanylthiophene-2-carboxamide
CID 2740430
N-(2,5-dimethoxyphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide
CID 15990436
N-(2,5-dimethoxyphenyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 20855954
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide (CID 27844583) is N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide is COc1ccc(OC)c(NC(=O)c2cc3ccccc3s2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is OGRQZHYVUXRCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-20-12-7-8-14(21-2)13(10-12)18-17(19)16-9-11-5-3-4-6-15(11)22-16/h3-10H,1-2H3,(H,18,19).
What are the key properties of N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide?
N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 27844583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).