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

C23H33N5O5S2 — CID 135520961

IUPACN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N(CC)CC)n1
InChIInChI=1S/C23H33N5O5S2/c1-4-7-17-14-21(29)26-23(24-17)34-16-22(30)25-19-15-18(8-9-20(19)27(5-2)6-3)35(31,32)28-10-12-33-13-11-28/h8-9,14-15H,4-7,10-13,16H2,1-3H3,(H,25,30)(H,24,26,29)
InChIKeyHPJKNBSEIPTOLZ-UHFFFAOYSA-N
MW523.68 g/mol
LogP2.32
Rot. Bonds11

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

N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135520961) has the molecular formula C23H33N5O5S2 and a molecular weight of 523.68 g/mol. Its IUPAC name is N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135520961
Molecular FormulaC23H33N5O5S2
Molecular Weight523.68 g/mol
Exact Mass523.19
IUPAC NameN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N(CC)CC)n1
InChIInChI=1S/C23H33N5O5S2/c1-4-7-17-14-21(29)26-23(24-17)34-16-22(30)25-19-15-18(8-9-20(19)27(5-2)6-3)35(31,32)28-10-12-33-13-11-28/h8-9,14-15H,4-7,10-13,16H2,1-3H3,(H,25,30)(H,24,26,29)
InChIKeyHPJKNBSEIPTOLZ-UHFFFAOYSA-N
XLogP2.32
TPSA124.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.68
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(4-hydroxy-6-methyl-2-pyrimidinyl)thio]-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide
CID 135406349
1-(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylurea
CID 2998252
2-(4-Hydroxy-pyrimidin-2-ylsulfanyl)-N-[4-(morpholine-4-sulfonyl)-phenyl]-acetamide
CID 3184608
N-(3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 3363635
N-[4-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]sulfamoyl]phenyl]acetamide
CID 4258041
N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide
CID 4840256
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide
CID 5198517
5-keto-3,7-dimethyl-N-(4-morpholinophenyl)thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 15990080
[2-[2-(Diethylamino)-5-morpholin-4-ylsulfonylanilino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 24817976
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 135423638
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 135471894
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 5043103

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135520961) is N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCCc1cc(=O)[nH]c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N(CC)CC)n1.
What is the InChIKey of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is HPJKNBSEIPTOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O5S2/c1-4-7-17-14-21(29)26-23(24-17)34-16-22(30)25-19-15-18(8-9-20(19)27(5-2)6-3)35(31,32)28-10-12-33-13-11-28/h8-9,14-15H,4-7,10-13,16H2,1-3H3,(H,25,30)(H,24,26,29).
What are the key properties of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 523.68 g/mol, XLogP of 2.32, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135520961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).