[2-amino-5-(4-methoxyphenyl)-4-methylthiophen-3-yl]-(4-chlorophenyl)methanone

C19H16ClNO2S — CID 73057074

IUPAC[2-amino-5-(4-methoxyphenyl)-4-methylthiophen-3-yl]-(4-chlorophenyl)methanone
SMILESCOc1ccc(-c2sc(N)c(C(=O)c3ccc(Cl)cc3)c2C)cc1
InChIInChI=1S/C19H16ClNO2S/c1-11-16(17(22)12-3-7-14(20)8-4-12)19(21)24-18(11)13-5-9-15(23-2)10-6-13/h3-10H,21H2,1-2H3
InChIKeyPBKRGJQLTBTYFA-UHFFFAOYSA-N
MW357.86 g/mol
LogP5.20
Rot. Bonds4

About [2-amino-5-(4-methoxyphenyl)-4-methylthiophen-3-yl]-(4-chlorophenyl)methanone

[2-amino-5-(4-methoxyphenyl)-4-methylthiophen-3-yl]-(4-chlorophenyl)methanone (PubChem CID 73057074) has the molecular formula C19H16ClNO2S and a molecular weight of 357.86 g/mol. Its IUPAC name is [2-amino-5-(4-methoxyphenyl)-4-methylthiophen-3-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-5-(4-methoxyphenyl)-4-methylthiophen-3-yl]-(4-chlorophenyl)methanone
PubChem CID73057074
Molecular FormulaC19H16ClNO2S
Molecular Weight357.86 g/mol
Exact Mass357.06
IUPAC Name[2-amino-5-(4-methoxyphenyl)-4-methylthiophen-3-yl]-(4-chlorophenyl)methanone
SMILESCOc1ccc(-c2sc(N)c(C(=O)c3ccc(Cl)cc3)c2C)cc1
InChIInChI=1S/C19H16ClNO2S/c1-11-16(17(22)12-3-7-14(20)8-4-12)19(21)24-18(11)13-5-9-15(23-2)10-6-13/h3-10H,21H2,1-2H3
InChIKeyPBKRGJQLTBTYFA-UHFFFAOYSA-N
XLogP5.20
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.86
LogP ≤ 55.20
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-5-(4-methoxyphenyl)-4-methylthiophen-3-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [2-amino-5-(4-methoxyphenyl)-4-methylthiophen-3-yl]-(4-chlorophenyl)methanone (CID 73057074) is [2-amino-5-(4-methoxyphenyl)-4-methylthiophen-3-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [2-amino-5-(4-methoxyphenyl)-4-methylthiophen-3-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [2-amino-5-(4-methoxyphenyl)-4-methylthiophen-3-yl]-(4-chlorophenyl)methanone is COc1ccc(-c2sc(N)c(C(=O)c3ccc(Cl)cc3)c2C)cc1.
What is the InChIKey of [2-amino-5-(4-methoxyphenyl)-4-methylthiophen-3-yl]-(4-chlorophenyl)methanone?
The InChIKey is PBKRGJQLTBTYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2S/c1-11-16(17(22)12-3-7-14(20)8-4-12)19(21)24-18(11)13-5-9-15(23-2)10-6-13/h3-10H,21H2,1-2H3.
What are the key properties of [2-amino-5-(4-methoxyphenyl)-4-methylthiophen-3-yl]-(4-chlorophenyl)methanone?
[2-amino-5-(4-methoxyphenyl)-4-methylthiophen-3-yl]-(4-chlorophenyl)methanone has a molecular weight of 357.86 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(4-methoxyphenyl)-4-methylthiophen-3-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 73057074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).