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

C20H16ClN3O4S2 — CID 24568289

IUPAC7-chloro-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)oc2c(Cl)cccc12
InChIInChI=1S/C20H16ClN3O4S2/c1-11-14-4-3-5-15(21)18(14)28-17(11)19(25)23-20-22-16(10-29-20)12-6-8-13(9-7-12)24-30(2,26)27/h3-10,24H,1-2H3,(H,22,23,25)
InChIKeyPYWOFHFONFJGDQ-UHFFFAOYSA-N
MW461.95 g/mol
LogP5.14
Rot. Bonds5

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

7-chloro-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 24568289) has the molecular formula C20H16ClN3O4S2 and a molecular weight of 461.95 g/mol. Its IUPAC name is 7-chloro-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID24568289
Molecular FormulaC20H16ClN3O4S2
Molecular Weight461.95 g/mol
Exact Mass461.03
IUPAC Name7-chloro-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)oc2c(Cl)cccc12
InChIInChI=1S/C20H16ClN3O4S2/c1-11-14-4-3-5-15(21)18(14)28-17(11)19(25)23-20-22-16(10-29-20)12-6-8-13(9-7-12)24-30(2,26)27/h3-10,24H,1-2H3,(H,22,23,25)
InChIKeyPYWOFHFONFJGDQ-UHFFFAOYSA-N
XLogP5.14
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.95
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-chloro-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-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

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 2524131
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
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 7940721
7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 7899827
3,7-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 60567420
2-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 120552976
7-chloro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 16550500
2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 9246487
7-chloro-3-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 46439366
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 24568455
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 24568469

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide (CID 24568289) is 7-chloro-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)oc2c(Cl)cccc12.
What is the InChIKey of 7-chloro-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is PYWOFHFONFJGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O4S2/c1-11-14-4-3-5-15(21)18(14)28-17(11)19(25)23-20-22-16(10-29-20)12-6-8-13(9-7-12)24-30(2,26)27/h3-10,24H,1-2H3,(H,22,23,25).
What are the key properties of 7-chloro-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide?
7-chloro-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 461.95 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24568289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).