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

C19H16ClN3O2S — CID 4660333

IUPAC4-amino-5-(4-chlorobenzoyl)-2-(3-methylanilino)thiophene-3-carboxamide
SMILESCc1cccc(Nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2C(N)=O)c1
InChIInChI=1S/C19H16ClN3O2S/c1-10-3-2-4-13(9-10)23-19-14(18(22)25)15(21)17(26-19)16(24)11-5-7-12(20)8-6-11/h2-9,23H,21H2,1H3,(H2,22,25)
InChIKeyYIQNOWLIMQHRIF-UHFFFAOYSA-N
MW385.88 g/mol
LogP4.37
Rot. Bonds5

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

4-amino-5-(4-chlorobenzoyl)-2-(3-methylanilino)thiophene-3-carboxamide (PubChem CID 4660333) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is 4-amino-5-(4-chlorobenzoyl)-2-(3-methylanilino)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-(4-chlorobenzoyl)-2-(3-methylanilino)thiophene-3-carboxamide
PubChem CID4660333
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC Name4-amino-5-(4-chlorobenzoyl)-2-(3-methylanilino)thiophene-3-carboxamide
SMILESCc1cccc(Nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2C(N)=O)c1
InChIInChI=1S/C19H16ClN3O2S/c1-10-3-2-4-13(9-10)23-19-14(18(22)25)15(21)17(26-19)16(24)11-5-7-12(20)8-6-11/h2-9,23H,21H2,1H3,(H2,22,25)
InChIKeyYIQNOWLIMQHRIF-UHFFFAOYSA-N
XLogP4.37
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 54.37
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-(3-methylanilino)thiophene-3-carboxamide?
The IUPAC name of 4-amino-5-(4-chlorobenzoyl)-2-(3-methylanilino)thiophene-3-carboxamide (CID 4660333) is 4-amino-5-(4-chlorobenzoyl)-2-(3-methylanilino)thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-(4-chlorobenzoyl)-2-(3-methylanilino)thiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-(4-chlorobenzoyl)-2-(3-methylanilino)thiophene-3-carboxamide is Cc1cccc(Nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2C(N)=O)c1.
What is the InChIKey of 4-amino-5-(4-chlorobenzoyl)-2-(3-methylanilino)thiophene-3-carboxamide?
The InChIKey is YIQNOWLIMQHRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c1-10-3-2-4-13(9-10)23-19-14(18(22)25)15(21)17(26-19)16(24)11-5-7-12(20)8-6-11/h2-9,23H,21H2,1H3,(H2,22,25).
What are the key properties of 4-amino-5-(4-chlorobenzoyl)-2-(3-methylanilino)thiophene-3-carboxamide?
4-amino-5-(4-chlorobenzoyl)-2-(3-methylanilino)thiophene-3-carboxamide has a molecular weight of 385.88 g/mol, XLogP of 4.37, 5 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-(3-methylanilino)thiophene-3-carboxamide is sourced from PubChem (CID 4660333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).