3-(2,4-dioxopyrimidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

C17H20N4O6S — CID 108801580

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESO=C(CCn1ccc(=O)[nH]c1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H20N4O6S/c22-15(5-7-20-8-6-16(23)19-17(20)24)18-13-1-3-14(4-2-13)28(25,26)21-9-11-27-12-10-21/h1-4,6,8H,5,7,9-12H2,(H,18,22)(H,19,23,24)
InChIKeyPPNSDOHAVAZQKB-UHFFFAOYSA-N
MW408.44 g/mol
LogP-0.41
Rot. Bonds6

About 3-(2,4-dioxopyrimidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

3-(2,4-dioxopyrimidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 108801580) has the molecular formula C17H20N4O6S and a molecular weight of 408.44 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID108801580
Molecular FormulaC17H20N4O6S
Molecular Weight408.44 g/mol
Exact Mass408.11
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESO=C(CCn1ccc(=O)[nH]c1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H20N4O6S/c22-15(5-7-20-8-6-16(23)19-17(20)24)18-13-1-3-14(4-2-13)28(25,26)21-9-11-27-12-10-21/h1-4,6,8H,5,7,9-12H2,(H,18,22)(H,19,23,24)
InChIKeyPPNSDOHAVAZQKB-UHFFFAOYSA-N
XLogP-0.41
TPSA130.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112
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CID 832695
3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxyphenyl)propanamide
CID 108788631
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
N'-(4-morpholin-4-ylsulfonylphenyl)-N-(4-phenoxyphenyl)butanediamide
CID 4643270
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55905013
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 24614392
N-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide
CID 2211272
3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19061853
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 8760066

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 108801580) is 3-(2,4-dioxopyrimidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide is O=C(CCn1ccc(=O)[nH]c1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is PPNSDOHAVAZQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O6S/c22-15(5-7-20-8-6-16(23)19-17(20)24)18-13-1-3-14(4-2-13)28(25,26)21-9-11-27-12-10-21/h1-4,6,8H,5,7,9-12H2,(H,18,22)(H,19,23,24).
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
3-(2,4-dioxopyrimidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 408.44 g/mol, XLogP of -0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 108801580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).