N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

C23H25ClN4O4S2 — CID 135480975

About N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135480975) has the molecular formula C23H25ClN4O4S2 and a molecular weight of 521.06 g/mol. Its IUPAC name is N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
• PubChem CID: 135480975
• Molecular Formula: C23H25ClN4O4S2
• Molecular Weight: 521.06 g/mol
• Exact Mass: 520.10
• IUPAC Name: N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
• SMILES: CCCc1cc(=O)[nH]c(SCC(=O)Nc2cc(S(=O)(=O)N(CC)c3ccccc3)ccc2Cl)n1
• InChI: InChI=1S/C23H25ClN4O4S2/c1-3-8-16-13-21(29)27-23(25-16)33-15-22(30)26-20-14-18(11-12-19(20)24)34(31,32)28(4-2)17-9-6-5-7-10-17/h5-7,9-14H,3-4,8,15H2,1-2H3,(H,26,30)(H,25,27,29)
• InChIKey: ACPPEKOMNNFNLZ-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 112.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.06
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?

The IUPAC name of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135480975) is N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCCc1cc(=O)[nH]c(SCC(=O)Nc2cc(S(=O)(=O)N(CC)c3ccccc3)ccc2Cl)n1.

What is the InChIKey of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?

The InChIKey is ACPPEKOMNNFNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O4S2/c1-3-8-16-13-21(29)27-23(25-16)33-15-22(30)26-20-14-18(11-12-19(20)24)34(31,32)28(4-2)17-9-6-5-7-10-17/h5-7,9-14H,3-4,8,15H2,1-2H3,(H,26,30)(H,25,27,29).

What are the key properties of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?

N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 521.06 g/mol, XLogP of 4.32, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135480975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).