4-amino-2-anilino-5-(4-methoxybenzoyl)thiophene-3-carboxamide

C19H17N3O3S — CID 2380326

IUPAC4-amino-2-anilino-5-(4-methoxybenzoyl)thiophene-3-carboxamide
SMILESCOc1ccc(C(=O)c2sc(Nc3ccccc3)c(C(N)=O)c2N)cc1
InChIInChI=1S/C19H17N3O3S/c1-25-13-9-7-11(8-10-13)16(23)17-15(20)14(18(21)24)19(26-17)22-12-5-3-2-4-6-12/h2-10,22H,20H2,1H3,(H2,21,24)
InChIKeyMKHSWLWGKHWPQK-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.41
Rot. Bonds6

About 4-amino-2-anilino-5-(4-methoxybenzoyl)thiophene-3-carboxamide

4-amino-2-anilino-5-(4-methoxybenzoyl)thiophene-3-carboxamide (PubChem CID 2380326) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-amino-2-anilino-5-(4-methoxybenzoyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-2-anilino-5-(4-methoxybenzoyl)thiophene-3-carboxamide
PubChem CID2380326
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name4-amino-2-anilino-5-(4-methoxybenzoyl)thiophene-3-carboxamide
SMILESCOc1ccc(C(=O)c2sc(Nc3ccccc3)c(C(N)=O)c2N)cc1
InChIInChI=1S/C19H17N3O3S/c1-25-13-9-7-11(8-10-13)16(23)17-15(20)14(18(21)24)19(26-17)22-12-5-3-2-4-6-12/h2-10,22H,20H2,1H3,(H2,21,24)
InChIKeyMKHSWLWGKHWPQK-UHFFFAOYSA-N
XLogP3.41
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-anilino-5-(4-methoxybenzoyl)thiophene-3-carboxamide?
The IUPAC name of 4-amino-2-anilino-5-(4-methoxybenzoyl)thiophene-3-carboxamide (CID 2380326) is 4-amino-2-anilino-5-(4-methoxybenzoyl)thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-2-anilino-5-(4-methoxybenzoyl)thiophene-3-carboxamide?
The canonical SMILES for 4-amino-2-anilino-5-(4-methoxybenzoyl)thiophene-3-carboxamide is COc1ccc(C(=O)c2sc(Nc3ccccc3)c(C(N)=O)c2N)cc1.
What is the InChIKey of 4-amino-2-anilino-5-(4-methoxybenzoyl)thiophene-3-carboxamide?
The InChIKey is MKHSWLWGKHWPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-25-13-9-7-11(8-10-13)16(23)17-15(20)14(18(21)24)19(26-17)22-12-5-3-2-4-6-12/h2-10,22H,20H2,1H3,(H2,21,24).
What are the key properties of 4-amino-2-anilino-5-(4-methoxybenzoyl)thiophene-3-carboxamide?
4-amino-2-anilino-5-(4-methoxybenzoyl)thiophene-3-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-anilino-5-(4-methoxybenzoyl)thiophene-3-carboxamide is sourced from PubChem (CID 2380326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).