N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C18H24N4O7S — CID 21008110

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C18H24N4O7S/c1-3-28-14-10-13(22-5-7-27-8-6-22)15(29-4-2)9-12(14)21-30(25,26)16-11-19-18(24)20-17(16)23/h9-11,21H,3-8H2,1-2H3,(H2,19,20,23,24)
InChIKeyKIHYEKGLPNHCNV-UHFFFAOYSA-N
MW440.48 g/mol
LogP0.50
Rot. Bonds8

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 21008110) has the molecular formula C18H24N4O7S and a molecular weight of 440.48 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID21008110
Molecular FormulaC18H24N4O7S
Molecular Weight440.48 g/mol
Exact Mass440.14
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C18H24N4O7S/c1-3-28-14-10-13(22-5-7-27-8-6-22)15(29-4-2)9-12(14)21-30(25,26)16-11-19-18(24)20-17(16)23/h9-11,21H,3-8H2,1-2H3,(H2,19,20,23,24)
InChIKeyKIHYEKGLPNHCNV-UHFFFAOYSA-N
XLogP0.50
TPSA142.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 21008110) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is KIHYEKGLPNHCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O7S/c1-3-28-14-10-13(22-5-7-27-8-6-22)15(29-4-2)9-12(14)21-30(25,26)16-11-19-18(24)20-17(16)23/h9-11,21H,3-8H2,1-2H3,(H2,19,20,23,24).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 440.48 g/mol, XLogP of 0.50, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 21008110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).