4-amino-5-(4-chlorobenzoyl)-2-(methylamino)thiophene-3-carboxamide

C13H12ClN3O2S — CID 2414018

IUPAC4-amino-5-(4-chlorobenzoyl)-2-(methylamino)thiophene-3-carboxamide
SMILESCNc1sc(C(=O)c2ccc(Cl)cc2)c(N)c1C(N)=O
InChIInChI=1S/C13H12ClN3O2S/c1-17-13-8(12(16)19)9(15)11(20-13)10(18)6-2-4-7(14)5-3-6/h2-5,17H,15H2,1H3,(H2,16,19)
InChIKeyIRWLEZBSXAPLIY-UHFFFAOYSA-N
MW309.78 g/mol
LogP2.36
Rot. Bonds4

About 4-amino-5-(4-chlorobenzoyl)-2-(methylamino)thiophene-3-carboxamide

4-amino-5-(4-chlorobenzoyl)-2-(methylamino)thiophene-3-carboxamide (PubChem CID 2414018) has the molecular formula C13H12ClN3O2S and a molecular weight of 309.78 g/mol. Its IUPAC name is 4-amino-5-(4-chlorobenzoyl)-2-(methylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-(4-chlorobenzoyl)-2-(methylamino)thiophene-3-carboxamide
PubChem CID2414018
Molecular FormulaC13H12ClN3O2S
Molecular Weight309.78 g/mol
Exact Mass309.03
IUPAC Name4-amino-5-(4-chlorobenzoyl)-2-(methylamino)thiophene-3-carboxamide
SMILESCNc1sc(C(=O)c2ccc(Cl)cc2)c(N)c1C(N)=O
InChIInChI=1S/C13H12ClN3O2S/c1-17-13-8(12(16)19)9(15)11(20-13)10(18)6-2-4-7(14)5-3-6/h2-5,17H,15H2,1H3,(H2,16,19)
InChIKeyIRWLEZBSXAPLIY-UHFFFAOYSA-N
XLogP2.36
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(4-chlorobenzoyl)-2-(methylamino)thiophene-3-carboxamide?
The IUPAC name of 4-amino-5-(4-chlorobenzoyl)-2-(methylamino)thiophene-3-carboxamide (CID 2414018) is 4-amino-5-(4-chlorobenzoyl)-2-(methylamino)thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-(4-chlorobenzoyl)-2-(methylamino)thiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-(4-chlorobenzoyl)-2-(methylamino)thiophene-3-carboxamide is CNc1sc(C(=O)c2ccc(Cl)cc2)c(N)c1C(N)=O.
What is the InChIKey of 4-amino-5-(4-chlorobenzoyl)-2-(methylamino)thiophene-3-carboxamide?
The InChIKey is IRWLEZBSXAPLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2S/c1-17-13-8(12(16)19)9(15)11(20-13)10(18)6-2-4-7(14)5-3-6/h2-5,17H,15H2,1H3,(H2,16,19).
What are the key properties of 4-amino-5-(4-chlorobenzoyl)-2-(methylamino)thiophene-3-carboxamide?
4-amino-5-(4-chlorobenzoyl)-2-(methylamino)thiophene-3-carboxamide has a molecular weight of 309.78 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(4-chlorobenzoyl)-2-(methylamino)thiophene-3-carboxamide is sourced from PubChem (CID 2414018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).