3-[(4-chlorophenyl)sulfonylamino]-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide

C19H19ClN4O4S2 — CID 17225716

About 3-[(4-chlorophenyl)sulfonylamino]-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide

3-[(4-chlorophenyl)sulfonylamino]-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 17225716) has the molecular formula C19H19ClN4O4S2 and a molecular weight of 466.97 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-[(4-chlorophenyl)sulfonylamino]-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide
• PubChem CID: 17225716
• Molecular Formula: C19H19ClN4O4S2
• Molecular Weight: 466.97 g/mol
• Exact Mass: 466.05
• IUPAC Name: 3-[(4-chlorophenyl)sulfonylamino]-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide
• SMILES: COc1ccc(Cc2nnc(NC(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)s2)cc1
• InChI: InChI=1S/C19H19ClN4O4S2/c1-28-15-6-2-13(3-7-15)12-18-23-24-19(29-18)22-17(25)10-11-21-30(26,27)16-8-4-14(20)5-9-16/h2-9,21H,10-12H2,1H3,(H,22,24,25)
• InChIKey: LGEXONSVLLHMID-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 110.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.97
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide?

The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide (CID 17225716) is 3-[(4-chlorophenyl)sulfonylamino]-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide.

What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide?

The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide is COc1ccc(Cc2nnc(NC(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)s2)cc1.

What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide?

The InChIKey is LGEXONSVLLHMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O4S2/c1-28-15-6-2-13(3-7-15)12-18-23-24-19(29-18)22-17(25)10-11-21-30(26,27)16-8-4-14(20)5-9-16/h2-9,21H,10-12H2,1H3,(H,22,24,25).

What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide?

3-[(4-chlorophenyl)sulfonylamino]-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 466.97 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-chlorophenyl)sulfonylamino]-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 17225716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).