(2-amino-4,5-dimethylthiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanone

C18H17NO2S — CID 10957909

IUPAC(2-amino-4,5-dimethylthiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanone
SMILESCOc1ccc(C(=O)c2c(N)sc(C)c2C)c2ccccc12
InChIInChI=1S/C18H17NO2S/c1-10-11(2)22-18(19)16(10)17(20)14-8-9-15(21-3)13-7-5-4-6-12(13)14/h4-9H,19H2,1-3H3
InChIKeyBPHSAAHXKNNLPX-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.34
Rot. Bonds3

About (2-amino-4,5-dimethylthiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanone

(2-amino-4,5-dimethylthiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanone (PubChem CID 10957909) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is (2-amino-4,5-dimethylthiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-4,5-dimethylthiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanone
PubChem CID10957909
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC Name(2-amino-4,5-dimethylthiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanone
SMILESCOc1ccc(C(=O)c2c(N)sc(C)c2C)c2ccccc12
InChIInChI=1S/C18H17NO2S/c1-10-11(2)22-18(19)16(10)17(20)14-8-9-15(21-3)13-7-5-4-6-12(13)14/h4-9H,19H2,1-3H3
InChIKeyBPHSAAHXKNNLPX-UHFFFAOYSA-N
XLogP4.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4,5-dimethylthiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanone?
The IUPAC name of (2-amino-4,5-dimethylthiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanone (CID 10957909) is (2-amino-4,5-dimethylthiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanone.
What is the SMILES notation for (2-amino-4,5-dimethylthiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanone?
The canonical SMILES for (2-amino-4,5-dimethylthiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanone is COc1ccc(C(=O)c2c(N)sc(C)c2C)c2ccccc12.
What is the InChIKey of (2-amino-4,5-dimethylthiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanone?
The InChIKey is BPHSAAHXKNNLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c1-10-11(2)22-18(19)16(10)17(20)14-8-9-15(21-3)13-7-5-4-6-12(13)14/h4-9H,19H2,1-3H3.
What are the key properties of (2-amino-4,5-dimethylthiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanone?
(2-amino-4,5-dimethylthiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanone has a molecular weight of 311.41 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,5-dimethylthiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanone is sourced from PubChem (CID 10957909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).