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

C13H13NO2S — CID 81124722

IUPAC(4-amino-3-methylphenyl)-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C13H13NO2S/c1-8-7-9(3-4-10(8)14)12(15)13-11(16-2)5-6-17-13/h3-7H,14H2,1-2H3
InChIKeyRLVKBXHQVJUKHX-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.88
Rot. Bonds3

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

(4-amino-3-methylphenyl)-(3-methoxythiophen-2-yl)methanone (PubChem CID 81124722) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is (4-amino-3-methylphenyl)-(3-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methylphenyl)-(3-methoxythiophen-2-yl)methanone
PubChem CID81124722
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name(4-amino-3-methylphenyl)-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C13H13NO2S/c1-8-7-9(3-4-10(8)14)12(15)13-11(16-2)5-6-17-13/h3-7H,14H2,1-2H3
InChIKeyRLVKBXHQVJUKHX-UHFFFAOYSA-N
XLogP2.88
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-amino-3-methylphenyl)-(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

(4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531509
(4-bromophenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127338
(6-methoxynaphthalen-2-yl)-(3-methoxythiophen-2-yl)methanone
CID 81121662
(3-chloro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127145
(3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone
CID 81118249
(3,4-diethoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81121511
2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxythiophen-2-yl)methanone
CID 81127963
N-(5-amino-2-bromo-4-methylphenyl)-3-methoxythiophene-2-carboxamide
CID 104814524
(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127883
(4-amino-2-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 113452764
6-(3-methoxythiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 81126938
(3-methoxythiophen-2-yl)-(1H-pyrrol-3-yl)methanone
CID 81126948

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylphenyl)-(3-methoxythiophen-2-yl)methanone?
The IUPAC name of (4-amino-3-methylphenyl)-(3-methoxythiophen-2-yl)methanone (CID 81124722) is (4-amino-3-methylphenyl)-(3-methoxythiophen-2-yl)methanone.
What is the SMILES notation for (4-amino-3-methylphenyl)-(3-methoxythiophen-2-yl)methanone?
The canonical SMILES for (4-amino-3-methylphenyl)-(3-methoxythiophen-2-yl)methanone is COc1ccsc1C(=O)c1ccc(N)c(C)c1.
What is the InChIKey of (4-amino-3-methylphenyl)-(3-methoxythiophen-2-yl)methanone?
The InChIKey is RLVKBXHQVJUKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-8-7-9(3-4-10(8)14)12(15)13-11(16-2)5-6-17-13/h3-7H,14H2,1-2H3.
What are the key properties of (4-amino-3-methylphenyl)-(3-methoxythiophen-2-yl)methanone?
(4-amino-3-methylphenyl)-(3-methoxythiophen-2-yl)methanone has a molecular weight of 247.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylphenyl)-(3-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 81124722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).