N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide

C21H16ClN3O3S — CID 2524131

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)c3oc4c(Cl)cccc4c3C)n2)cc1
InChIInChI=1S/C21H16ClN3O3S/c1-11-15-4-3-5-16(22)19(15)28-18(11)20(27)25-21-24-17(10-29-21)13-6-8-14(9-7-13)23-12(2)26/h3-10H,1-2H3,(H,23,26)(H,24,25,27)
InChIKeyZBINYRHZMLSGMN-UHFFFAOYSA-N
MW425.90 g/mol
LogP5.73
Rot. Bonds4

About N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 2524131) has the molecular formula C21H16ClN3O3S and a molecular weight of 425.90 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID2524131
Molecular FormulaC21H16ClN3O3S
Molecular Weight425.90 g/mol
Exact Mass425.06
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)c3oc4c(Cl)cccc4c3C)n2)cc1
InChIInChI=1S/C21H16ClN3O3S/c1-11-15-4-3-5-16(22)19(15)28-18(11)20(27)25-21-24-17(10-29-21)13-6-8-14(9-7-13)23-12(2)26/h3-10H,1-2H3,(H,23,26)(H,24,25,27)
InChIKeyZBINYRHZMLSGMN-UHFFFAOYSA-N
XLogP5.73
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.90
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 24568289
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 7940721
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 16547031
7-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 7921774
7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 7899827
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide
CID 8502204
N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 7945365
3,7-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 60567420
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide
CID 26894026
7-chloro-3-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 46439366
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-(2-chlorophenyl)furan-2-carboxamide
CID 24568506
4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide (CID 2524131) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide is CC(=O)Nc1ccc(-c2csc(NC(=O)c3oc4c(Cl)cccc4c3C)n2)cc1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is ZBINYRHZMLSGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3S/c1-11-15-4-3-5-16(22)19(15)28-18(11)20(27)25-21-24-17(10-29-21)13-6-8-14(9-7-13)23-12(2)26/h3-10H,1-2H3,(H,23,26)(H,24,25,27).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 425.90 g/mol, XLogP of 5.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2524131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).