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

C18H14ClNO2S — CID 25265700

IUPAC[2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-(4-chlorophenyl)methanone
SMILESCOc1ccc(-c2csc(N)c2C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H14ClNO2S/c1-22-14-8-4-11(5-9-14)15-10-23-18(20)16(15)17(21)12-2-6-13(19)7-3-12/h2-10H,20H2,1H3
InChIKeyGVMCXXKVVOFCJV-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.89
Rot. Bonds4

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

[2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-(4-chlorophenyl)methanone (PubChem CID 25265700) has the molecular formula C18H14ClNO2S and a molecular weight of 343.84 g/mol. Its IUPAC name is [2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-(4-chlorophenyl)methanone
PubChem CID25265700
Molecular FormulaC18H14ClNO2S
Molecular Weight343.84 g/mol
Exact Mass343.04
IUPAC Name[2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-(4-chlorophenyl)methanone
SMILESCOc1ccc(-c2csc(N)c2C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H14ClNO2S/c1-22-14-8-4-11(5-9-14)15-10-23-18(20)16(15)17(21)12-2-6-13(19)7-3-12/h2-10H,20H2,1H3
InChIKeyGVMCXXKVVOFCJV-UHFFFAOYSA-N
XLogP4.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-(4-chlorophenyl)methanone (CID 25265700) is [2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-(4-chlorophenyl)methanone is COc1ccc(-c2csc(N)c2C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-(4-chlorophenyl)methanone?
The InChIKey is GVMCXXKVVOFCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2S/c1-22-14-8-4-11(5-9-14)15-10-23-18(20)16(15)17(21)12-2-6-13(19)7-3-12/h2-10H,20H2,1H3.
What are the key properties of [2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-(4-chlorophenyl)methanone?
[2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-(4-chlorophenyl)methanone has a molecular weight of 343.84 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 25265700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).