N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide

C20H26FN3O5S — CID 67022185

IUPACN-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide
SMILESCC[C@@H](NS(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C20H26FN3O5S/c1-2-17(15-6-7-16(21)18(12-15)29-13-14-4-5-14)23-30(27,28)11-3-9-24-10-8-19(25)22-20(24)26/h6-8,10,12,14,17,23H,2-5,9,11,13H2,1H3,(H,22,25,26)/t17-/m1/s1
InChIKeyMVLPARMKHGYZOD-QGZVFWFLSA-N
MW439.51 g/mol
LogP1.93
Rot. Bonds11

About N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide

N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide (PubChem CID 67022185) has the molecular formula C20H26FN3O5S and a molecular weight of 439.51 g/mol. Its IUPAC name is N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide
PubChem CID67022185
Molecular FormulaC20H26FN3O5S
Molecular Weight439.51 g/mol
Exact Mass439.16
IUPAC NameN-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide
SMILESCC[C@@H](NS(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C20H26FN3O5S/c1-2-17(15-6-7-16(21)18(12-15)29-13-14-4-5-14)23-30(27,28)11-3-9-24-10-8-19(25)22-20(24)26/h6-8,10,12,14,17,23H,2-5,9,11,13H2,1H3,(H,22,25,26)/t17-/m1/s1
InChIKeyMVLPARMKHGYZOD-QGZVFWFLSA-N
XLogP1.93
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide?
The IUPAC name of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide (CID 67022185) is N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide.
What is the SMILES notation for N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide?
The canonical SMILES for N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide is CC[C@@H](NS(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide?
The InChIKey is MVLPARMKHGYZOD-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26FN3O5S/c1-2-17(15-6-7-16(21)18(12-15)29-13-14-4-5-14)23-30(27,28)11-3-9-24-10-8-19(25)22-20(24)26/h6-8,10,12,14,17,23H,2-5,9,11,13H2,1H3,(H,22,25,26)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide?
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide has a molecular weight of 439.51 g/mol, XLogP of 1.93, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide is sourced from PubChem (CID 67022185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).