3-(2,4-dioxopyrimidin-1-yl)-N-methoxy-N-[(1R)-1-phenylethyl]propane-1-sulfonamide

C16H21N3O5S — CID 44544654

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-methoxy-N-[(1R)-1-phenylethyl]propane-1-sulfonamide
SMILESCON([C@H](C)c1ccccc1)S(=O)(=O)CCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C16H21N3O5S/c1-13(14-7-4-3-5-8-14)19(24-2)25(22,23)12-6-10-18-11-9-15(20)17-16(18)21/h3-5,7-9,11,13H,6,10,12H2,1-2H3,(H,17,20,21)/t13-/m1/s1
InChIKeyUDBBMCDSTRFAMQ-CYBMUJFWSA-N
MW367.43 g/mol
LogP0.88
Rot. Bonds8

About 3-(2,4-dioxopyrimidin-1-yl)-N-methoxy-N-[(1R)-1-phenylethyl]propane-1-sulfonamide

3-(2,4-dioxopyrimidin-1-yl)-N-methoxy-N-[(1R)-1-phenylethyl]propane-1-sulfonamide (PubChem CID 44544654) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-methoxy-N-[(1R)-1-phenylethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-methoxy-N-[(1R)-1-phenylethyl]propane-1-sulfonamide
PubChem CID44544654
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-methoxy-N-[(1R)-1-phenylethyl]propane-1-sulfonamide
SMILESCON([C@H](C)c1ccccc1)S(=O)(=O)CCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C16H21N3O5S/c1-13(14-7-4-3-5-8-14)19(24-2)25(22,23)12-6-10-18-11-9-15(20)17-16(18)21/h3-5,7-9,11,13H,6,10,12H2,1-2H3,(H,17,20,21)/t13-/m1/s1
InChIKeyUDBBMCDSTRFAMQ-CYBMUJFWSA-N
XLogP0.88
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-3-(2,4-dioxopyrimidin-1-yl)-N-methoxypropane-1-sulfonamide
CID 44544448
1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione
CID 63810428
1-[3-[2-[(1S)-1-phenylethyl]hydrazinyl]propyl]pyrimidine-2,4-dione
CID 142399923
3-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(2-methylphenyl)ethyl]propane-1-sulfonamide
CID 44544760
3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-phenylethyl]propane-1-sulfinamide
CID 135219919
1-[3-[(2R)-2-(2-chlorophenyl)propyl]sulfonylpropyl]pyrimidine-2,4-dione
CID 58218520
1-[3-[(2R)-2-(2-bromophenyl)propyl]sulfonylpropyl]pyrimidine-2,4-dione
CID 58218130
1-[2-[(3-methyl-2-phenylbutyl)amino]ethyl]pyrimidine-2,4-dione
CID 154769752
1-(5-hydroxyhexyl)pyrimidine-2,4-dione
CID 23287951
1-[2-[bis[(1R)-1-phenylethyl]amino]-1-methoxyethyl]pyrimidine-2,4-dione
CID 10949247
1-[3-(1-phenylpropylamino)sulfanylpropyl]pyrimidine-2,4-dione
CID 143904449
1-butylpyrimidine-2,4-dione;methanol;palladium
CID 178051996

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-methoxy-N-[(1R)-1-phenylethyl]propane-1-sulfonamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-methoxy-N-[(1R)-1-phenylethyl]propane-1-sulfonamide (CID 44544654) is 3-(2,4-dioxopyrimidin-1-yl)-N-methoxy-N-[(1R)-1-phenylethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-methoxy-N-[(1R)-1-phenylethyl]propane-1-sulfonamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-methoxy-N-[(1R)-1-phenylethyl]propane-1-sulfonamide is CON([C@H](C)c1ccccc1)S(=O)(=O)CCCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-methoxy-N-[(1R)-1-phenylethyl]propane-1-sulfonamide?
The InChIKey is UDBBMCDSTRFAMQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O5S/c1-13(14-7-4-3-5-8-14)19(24-2)25(22,23)12-6-10-18-11-9-15(20)17-16(18)21/h3-5,7-9,11,13H,6,10,12H2,1-2H3,(H,17,20,21)/t13-/m1/s1.
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-methoxy-N-[(1R)-1-phenylethyl]propane-1-sulfonamide?
3-(2,4-dioxopyrimidin-1-yl)-N-methoxy-N-[(1R)-1-phenylethyl]propane-1-sulfonamide has a molecular weight of 367.43 g/mol, XLogP of 0.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)-N-methoxy-N-[(1R)-1-phenylethyl]propane-1-sulfonamide is sourced from PubChem (CID 44544654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).