2-(4-fluorophenyl)-4-methoxy-N-[(5-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzamide

C23H18FN3O5S2 — CID 142785286

About 2-(4-fluorophenyl)-4-methoxy-N-[(5-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzamide

2-(4-fluorophenyl)-4-methoxy-N-[(5-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzamide (PubChem CID 142785286) has the molecular formula C23H18FN3O5S2 and a molecular weight of 499.55 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-methoxy-N-[(5-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-4-methoxy-N-[(5-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzamide
• PubChem CID: 142785286
• Molecular Formula: C23H18FN3O5S2
• Molecular Weight: 499.55 g/mol
• Exact Mass: 499.07
• IUPAC Name: 2-(4-fluorophenyl)-4-methoxy-N-[(5-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzamide
• SMILES: COc1ccc(C(=O)NC(=O)Nc2nc3cc(S(C)(=O)=O)ccc3s2)c(-c2ccc(F)cc2)c1
• InChI: InChI=1S/C23H18FN3O5S2/c1-32-15-7-9-17(18(11-15)13-3-5-14(24)6-4-13)21(28)26-22(29)27-23-25-19-12-16(34(2,30)31)8-10-20(19)33-23/h3-12H,1-2H3,(H2,25,26,27,28,29)
• InChIKey: SZXZCXVYMCCBFS-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 114.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.55
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-methoxy-N-[(5-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzamide?

The IUPAC name of 2-(4-fluorophenyl)-4-methoxy-N-[(5-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzamide (CID 142785286) is 2-(4-fluorophenyl)-4-methoxy-N-[(5-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzamide.

What is the SMILES notation for 2-(4-fluorophenyl)-4-methoxy-N-[(5-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzamide?

The canonical SMILES for 2-(4-fluorophenyl)-4-methoxy-N-[(5-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzamide is COc1ccc(C(=O)NC(=O)Nc2nc3cc(S(C)(=O)=O)ccc3s2)c(-c2ccc(F)cc2)c1.

What is the InChIKey of 2-(4-fluorophenyl)-4-methoxy-N-[(5-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzamide?

The InChIKey is SZXZCXVYMCCBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O5S2/c1-32-15-7-9-17(18(11-15)13-3-5-14(24)6-4-13)21(28)26-22(29)27-23-25-19-12-16(34(2,30)31)8-10-20(19)33-23/h3-12H,1-2H3,(H2,25,26,27,28,29).

What are the key properties of 2-(4-fluorophenyl)-4-methoxy-N-[(5-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzamide?

2-(4-fluorophenyl)-4-methoxy-N-[(5-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzamide has a molecular weight of 499.55 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-4-methoxy-N-[(5-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzamide is sourced from PubChem (CID 142785286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).