2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide

C15H18N4O4S2 — CID 135460125

IUPAC2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)n1
InChIInChI=1S/C15H18N4O4S2/c1-2-4-10-8-13(20)19-15(18-10)24-9-14(21)17-11-5-3-6-12(7-11)25(16,22)23/h3,5-8H,2,4,9H2,1H3,(H,17,21)(H2,16,22,23)(H,18,19,20)
InChIKeyIREQTQLMZZBHQN-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.10
Rot. Bonds7

About 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide

2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide (PubChem CID 135460125) has the molecular formula C15H18N4O4S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide
PubChem CID135460125
Molecular FormulaC15H18N4O4S2
Molecular Weight382.47 g/mol
Exact Mass382.08
IUPAC Name2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)n1
InChIInChI=1S/C15H18N4O4S2/c1-2-4-10-8-13(20)19-15(18-10)24-9-14(21)17-11-5-3-6-12(7-11)25(16,22)23/h3,5-8H,2,4,9H2,1H3,(H,17,21)(H2,16,22,23)(H,18,19,20)
InChIKeyIREQTQLMZZBHQN-UHFFFAOYSA-N
XLogP1.10
TPSA135.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide
CID 135717639
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-[6-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-2-pyridinyl]acetamide
CID 135795858
N-(4-methylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135408881
N-(4-bromophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135416684
N-(3,5-dimethylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135408430
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135717670
N-(4-butan-2-ylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135464918
2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 135561611
N-(4-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135492738
N-(2-chloro-5-methylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135836480
2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 6324505
N-(9,10-dioxoanthracen-2-yl)-2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135996149

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide (CID 135460125) is 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide is CCCc1cc(=O)[nH]c(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)n1.
What is the InChIKey of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is IREQTQLMZZBHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S2/c1-2-4-10-8-13(20)19-15(18-10)24-9-14(21)17-11-5-3-6-12(7-11)25(16,22)23/h3,5-8H,2,4,9H2,1H3,(H,17,21)(H2,16,22,23)(H,18,19,20).
What are the key properties of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide?
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 382.47 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 135460125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).