2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C22H22ClN5O5S2 — CID 5071804

IUPAC2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESNc1cc(=O)nc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClN5O5S2/c23-15-1-5-17(6-2-15)28-19(24)13-20(29)26-22(28)34-14-21(30)25-16-3-7-18(8-4-16)35(31,32)27-9-11-33-12-10-27/h1-8,13H,9-12,14,24H2,(H,25,30)
InChIKeySGTHZKIIJIZYFI-UHFFFAOYSA-N
MW536.04 g/mol
LogP2.22
Rot. Bonds7

About 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 5071804) has the molecular formula C22H22ClN5O5S2 and a molecular weight of 536.04 g/mol. Its IUPAC name is 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID5071804
Molecular FormulaC22H22ClN5O5S2
Molecular Weight536.04 g/mol
Exact Mass535.08
IUPAC Name2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESNc1cc(=O)nc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClN5O5S2/c23-15-1-5-17(6-2-15)28-19(24)13-20(29)26-22(28)34-14-21(30)25-16-3-7-18(8-4-16)35(31,32)27-9-11-33-12-10-27/h1-8,13H,9-12,14,24H2,(H,25,30)
InChIKeySGTHZKIIJIZYFI-UHFFFAOYSA-N
XLogP2.22
TPSA136.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.04
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide
CID 4058400
2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 55772255
2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 29479537
2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 3636420
N-(4-chlorophenyl)-2-[1-(4-morpholin-4-ylsulfonylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
CID 4114511
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2366857
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2336442
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4257412
2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3424032
2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5167969
N-(4-chlorophenyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 30259197
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 25401326

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 5071804) is 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is Nc1cc(=O)nc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is SGTHZKIIJIZYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O5S2/c23-15-1-5-17(6-2-15)28-19(24)13-20(29)26-22(28)34-14-21(30)25-16-3-7-18(8-4-16)35(31,32)27-9-11-33-12-10-27/h1-8,13H,9-12,14,24H2,(H,25,30).
What are the key properties of 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 536.04 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 5071804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).