(5-amino-7-methoxy-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone

C17H15NO3S — CID 72735075

IUPAC(5-amino-7-methoxy-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc3cc(N)cc(OC)c3s2)cc1
InChIInChI=1S/C17H15NO3S/c1-20-13-5-3-10(4-6-13)16(19)15-8-11-7-12(18)9-14(21-2)17(11)22-15/h3-9H,18H2,1-2H3
InChIKeyWUHOJQJRPZQKGZ-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.73
Rot. Bonds4

About (5-amino-7-methoxy-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone

(5-amino-7-methoxy-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone (PubChem CID 72735075) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is (5-amino-7-methoxy-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-amino-7-methoxy-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone
PubChem CID72735075
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name(5-amino-7-methoxy-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc3cc(N)cc(OC)c3s2)cc1
InChIInChI=1S/C17H15NO3S/c1-20-13-5-3-10(4-6-13)16(19)15-8-11-7-12(18)9-14(21-2)17(11)22-15/h3-9H,18H2,1-2H3
InChIKeyWUHOJQJRPZQKGZ-UHFFFAOYSA-N
XLogP3.73
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-5-(4-methoxybenzoyl)thiophene-3-carboxylate
CID 19894835
(4-hydroxyphenyl)-(6-methoxy-1-benzothiophen-2-yl)methanone
CID 154359392
(5-amino-1-benzothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 72737432
7-methoxy-5-methyl-1-benzothiophene-2-carboxylic acid
CID 23532368
(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methanone
CID 43160962
N-(4-amino-2-bromo-6-methoxyphenyl)-4-methoxybenzamide
CID 100828622
[5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-(4-methoxybenzoyl)phenyl]phenyl]-(4-methoxyphenyl)methanone
CID 154631055
[3-amino-5-(2,4-dimethoxyanilino)thiophen-2-yl]-(4-methoxyphenyl)methanone
CID 141278039
(4-aminophenyl)-(2-methoxy-5-propan-2-yloxyphenyl)methanone
CID 82265572
(4-methoxyphenyl) 3,5-diaminobenzoate
CID 12995562
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
(2-amino-3,5-dimethoxyphenyl)-(5-chlorothiophen-2-yl)methanone
CID 112606193

Frequently Asked Questions

What is the IUPAC name of (5-amino-7-methoxy-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (5-amino-7-methoxy-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone (CID 72735075) is (5-amino-7-methoxy-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (5-amino-7-methoxy-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (5-amino-7-methoxy-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cc3cc(N)cc(OC)c3s2)cc1.
What is the InChIKey of (5-amino-7-methoxy-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone?
The InChIKey is WUHOJQJRPZQKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-20-13-5-3-10(4-6-13)16(19)15-8-11-7-12(18)9-14(21-2)17(11)22-15/h3-9H,18H2,1-2H3.
What are the key properties of (5-amino-7-methoxy-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone?
(5-amino-7-methoxy-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone has a molecular weight of 313.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-7-methoxy-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 72735075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).