2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide

C16H18ClN5O5S2 — CID 135454734

IUPAC2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)n1
InChIInChI=1S/C16H18ClN5O5S2/c17-11-2-1-10(29(25,26)22-3-5-27-6-4-22)7-12(11)19-15(24)9-28-16-20-13(18)8-14(23)21-16/h1-2,7-8H,3-6,9H2,(H,19,24)(H3,18,20,21,23)
InChIKeyUUFBMGQFUDRZRT-UHFFFAOYSA-N
MW459.94 g/mol
LogP0.76
Rot. Bonds6

About 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 135454734) has the molecular formula C16H18ClN5O5S2 and a molecular weight of 459.94 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID135454734
Molecular FormulaC16H18ClN5O5S2
Molecular Weight459.94 g/mol
Exact Mass459.04
IUPAC Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)n1
InChIInChI=1S/C16H18ClN5O5S2/c17-11-2-1-10(29(25,26)22-3-5-27-6-4-22)7-12(11)19-15(24)9-28-16-20-13(18)8-14(23)21-16/h1-2,7-8H,3-6,9H2,(H,19,24)(H3,18,20,21,23)
InChIKeyUUFBMGQFUDRZRT-UHFFFAOYSA-N
XLogP0.76
TPSA147.48 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.94
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-5-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-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 135413939
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 42118183
N-(4-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135492738
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 27195451
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 135458586
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 4964722
N-(2-chloro-5-methylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135836480
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 24980260
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
CID 8903917
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 135453641
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 30234663
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3,4,5,6-pentabromophenyl)acetamide
CID 135460097

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide (CID 135454734) is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide is Nc1cc(=O)[nH]c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)n1.
What is the InChIKey of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is UUFBMGQFUDRZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O5S2/c17-11-2-1-10(29(25,26)22-3-5-27-6-4-22)7-12(11)19-15(24)9-28-16-20-13(18)8-14(23)21-16/h1-2,7-8H,3-6,9H2,(H,19,24)(H3,18,20,21,23).
What are the key properties of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide?
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 459.94 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 135454734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).