(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide

C19H18Cl2N4O4S2 — CID 125051895

About (2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide

(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 125051895) has the molecular formula C19H18Cl2N4O4S2 and a molecular weight of 501.42 g/mol. Its IUPAC name is (2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: (2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide
• PubChem CID: 125051895
• Molecular Formula: C19H18Cl2N4O4S2
• Molecular Weight: 501.42 g/mol
• Exact Mass: 500.01
• IUPAC Name: (2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide
• SMILES: COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)S(C)(=O)=O
• InChI: InChI=1S/C19H18Cl2N4O4S2/c1-11(25(31(3,27)28)15-10-14(21)8-9-16(15)29-2)17(26)22-19-24-23-18(30-19)12-4-6-13(20)7-5-12/h4-11H,1-3H3,(H,22,24,26)/t11-/m1/s1
• InChIKey: AKKWXLYQQFPATH-LLVKDONJSA-N
• XLogP: 4.31
• TPSA: 101.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.42
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide?

The IUPAC name of (2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 125051895) is (2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide.

What is the SMILES notation for (2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide?

The canonical SMILES for (2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide is COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)S(C)(=O)=O.

What is the InChIKey of (2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide?

The InChIKey is AKKWXLYQQFPATH-LLVKDONJSA-N. The full InChI is InChI=1S/C19H18Cl2N4O4S2/c1-11(25(31(3,27)28)15-10-14(21)8-9-16(15)29-2)17(26)22-19-24-23-18(30-19)12-4-6-13(20)7-5-12/h4-11H,1-3H3,(H,22,24,26)/t11-/m1/s1.

What are the key properties of (2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide?

(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 501.42 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 125051895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).