2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide

C27H25Cl3N4O4S — CID 100798063

About 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide

2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide (PubChem CID 100798063) has the molecular formula C27H25Cl3N4O4S and a molecular weight of 607.95 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
• PubChem CID: 100798063
• Molecular Formula: C27H25Cl3N4O4S
• Molecular Weight: 607.95 g/mol
• Exact Mass: 606.07
• IUPAC Name: 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
• SMILES: CC(C)c1nc(Cc2ccc(NC(=O)CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(Cl)cc3)cc2)no1
• InChI: InChI=1S/C27H25Cl3N4O4S/c1-17(2)27-32-25(33-38-27)13-18-3-9-22(10-4-18)31-26(35)16-34(15-19-5-6-21(29)14-24(19)30)39(36,37)23-11-7-20(28)8-12-23/h3-12,14,17H,13,15-16H2,1-2H3,(H,31,35)
• InChIKey: MMHVHZSIVNMPQG-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.95
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide?

The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide (CID 100798063) is 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide.

What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide?

The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide is CC(C)c1nc(Cc2ccc(NC(=O)CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(Cl)cc3)cc2)no1.

What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide?

The InChIKey is MMHVHZSIVNMPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl3N4O4S/c1-17(2)27-32-25(33-38-27)13-18-3-9-22(10-4-18)31-26(35)16-34(15-19-5-6-21(29)14-24(19)30)39(36,37)23-11-7-20(28)8-12-23/h3-12,14,17H,13,15-16H2,1-2H3,(H,31,35).

What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide?

2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide has a molecular weight of 607.95 g/mol, XLogP of 6.57, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 100798063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).