(4-amino-2-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone

C13H13NO3S — CID 113452764

IUPAC(4-amino-2-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone
SMILESCOc1cc(N)ccc1C(=O)c1sccc1OC
InChIInChI=1S/C13H13NO3S/c1-16-10-5-6-18-13(10)12(15)9-4-3-8(14)7-11(9)17-2/h3-7H,14H2,1-2H3
InChIKeyKBRWHMDVFXAXDU-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.58
Rot. Bonds4

About (4-amino-2-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone

(4-amino-2-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone (PubChem CID 113452764) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is (4-amino-2-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone
PubChem CID113452764
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name(4-amino-2-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone
SMILESCOc1cc(N)ccc1C(=O)c1sccc1OC
InChIInChI=1S/C13H13NO3S/c1-16-10-5-6-18-13(10)12(15)9-4-3-8(14)7-11(9)17-2/h3-7H,14H2,1-2H3
InChIKeyKBRWHMDVFXAXDU-UHFFFAOYSA-N
XLogP2.58
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-amino-2-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone 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

(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127883
(4-amino-2-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 104784994
(4-amino-3-methylphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81124722
(4-bromophenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127338
(4-fluoronaphthalen-1-yl)-(3-methoxythiophen-2-yl)methanone
CID 81127573
(3-bromothiophen-2-yl)methyl 4-amino-2-methoxybenzoate
CID 104784067
(2-amino-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanone
CID 80537146
(4-amino-2-methoxyphenyl)-(2,3,4,6-tetrachlorophenyl)methanone
CID 105350296
3-(4-amino-2-methoxyphenyl)-3-oxopropanoic acid
CID 146619681
N-[(4-aminophenyl)methyl]-3-methoxythiophene-2-carboxamide
CID 81116990
(3-chloro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127145
(6-methoxynaphthalen-2-yl)-(3-methoxythiophen-2-yl)methanone
CID 81121662

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone?
The IUPAC name of (4-amino-2-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone (CID 113452764) is (4-amino-2-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone.
What is the SMILES notation for (4-amino-2-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone?
The canonical SMILES for (4-amino-2-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone is COc1cc(N)ccc1C(=O)c1sccc1OC.
What is the InChIKey of (4-amino-2-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone?
The InChIKey is KBRWHMDVFXAXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-16-10-5-6-18-13(10)12(15)9-4-3-8(14)7-11(9)17-2/h3-7H,14H2,1-2H3.
What are the key properties of (4-amino-2-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone?
(4-amino-2-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone has a molecular weight of 263.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 113452764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).