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

C19H25N3O5S — CID 67021966

IUPAC3-[(2,4-dioxopyrimidin-1-yl)methoxy]-N-(1-phenylcyclopentyl)propane-1-sulfonamide
SMILESO=c1ccn(COCCCS(=O)(=O)NC2(c3ccccc3)CCCC2)c(=O)[nH]1
InChIInChI=1S/C19H25N3O5S/c23-17-9-12-22(18(24)20-17)15-27-13-6-14-28(25,26)21-19(10-4-5-11-19)16-7-2-1-3-8-16/h1-3,7-9,12,21H,4-6,10-11,13-15H2,(H,20,23,24)
InChIKeyRUMOSWJHLHBCKB-UHFFFAOYSA-N
MW407.49 g/mol
LogP1.29
Rot. Bonds9

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

3-[(2,4-dioxopyrimidin-1-yl)methoxy]-N-(1-phenylcyclopentyl)propane-1-sulfonamide (PubChem CID 67021966) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is 3-[(2,4-dioxopyrimidin-1-yl)methoxy]-N-(1-phenylcyclopentyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(2,4-dioxopyrimidin-1-yl)methoxy]-N-(1-phenylcyclopentyl)propane-1-sulfonamide
PubChem CID67021966
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Name3-[(2,4-dioxopyrimidin-1-yl)methoxy]-N-(1-phenylcyclopentyl)propane-1-sulfonamide
SMILESO=c1ccn(COCCCS(=O)(=O)NC2(c3ccccc3)CCCC2)c(=O)[nH]1
InChIInChI=1S/C19H25N3O5S/c23-17-9-12-22(18(24)20-17)15-27-13-6-14-28(25,26)21-19(10-4-5-11-19)16-7-2-1-3-8-16/h1-3,7-9,12,21H,4-6,10-11,13-15H2,(H,20,23,24)
InChIKeyRUMOSWJHLHBCKB-UHFFFAOYSA-N
XLogP1.29
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dioxopyrimidin-1-yl)methoxy]-N-(1-phenylcyclopentyl)propane-1-sulfonamide?
The IUPAC name of 3-[(2,4-dioxopyrimidin-1-yl)methoxy]-N-(1-phenylcyclopentyl)propane-1-sulfonamide (CID 67021966) is 3-[(2,4-dioxopyrimidin-1-yl)methoxy]-N-(1-phenylcyclopentyl)propane-1-sulfonamide.
What is the SMILES notation for 3-[(2,4-dioxopyrimidin-1-yl)methoxy]-N-(1-phenylcyclopentyl)propane-1-sulfonamide?
The canonical SMILES for 3-[(2,4-dioxopyrimidin-1-yl)methoxy]-N-(1-phenylcyclopentyl)propane-1-sulfonamide is O=c1ccn(COCCCS(=O)(=O)NC2(c3ccccc3)CCCC2)c(=O)[nH]1.
What is the InChIKey of 3-[(2,4-dioxopyrimidin-1-yl)methoxy]-N-(1-phenylcyclopentyl)propane-1-sulfonamide?
The InChIKey is RUMOSWJHLHBCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c23-17-9-12-22(18(24)20-17)15-27-13-6-14-28(25,26)21-19(10-4-5-11-19)16-7-2-1-3-8-16/h1-3,7-9,12,21H,4-6,10-11,13-15H2,(H,20,23,24).
What are the key properties of 3-[(2,4-dioxopyrimidin-1-yl)methoxy]-N-(1-phenylcyclopentyl)propane-1-sulfonamide?
3-[(2,4-dioxopyrimidin-1-yl)methoxy]-N-(1-phenylcyclopentyl)propane-1-sulfonamide has a molecular weight of 407.49 g/mol, XLogP of 1.29, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dioxopyrimidin-1-yl)methoxy]-N-(1-phenylcyclopentyl)propane-1-sulfonamide is sourced from PubChem (CID 67021966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).