N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentane-1-sulfonamide

C22H30FN3O5S — CID 53233948

IUPACN-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentane-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)CCCCCn1cc(F)c(=O)[nH]c1=O)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C22H30FN3O5S/c1-16(17-8-7-11-19(14-17)31-18-9-3-4-10-18)25-32(29,30)13-6-2-5-12-26-15-20(23)21(27)24-22(26)28/h7-8,11,14-16,18,25H,2-6,9-10,12-13H2,1H3,(H,24,27,28)/t16-/m1/s1
InChIKeyRXVXQHUUXPTXAP-MRXNPFEDSA-N
MW467.56 g/mol
LogP2.85
Rot. Bonds11

About N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentane-1-sulfonamide

N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentane-1-sulfonamide (PubChem CID 53233948) has the molecular formula C22H30FN3O5S and a molecular weight of 467.56 g/mol. Its IUPAC name is N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentane-1-sulfonamide
PubChem CID53233948
Molecular FormulaC22H30FN3O5S
Molecular Weight467.56 g/mol
Exact Mass467.19
IUPAC NameN-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentane-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)CCCCCn1cc(F)c(=O)[nH]c1=O)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C22H30FN3O5S/c1-16(17-8-7-11-19(14-17)31-18-9-3-4-10-18)25-32(29,30)13-6-2-5-12-26-15-20(23)21(27)24-22(26)28/h7-8,11,14-16,18,25H,2-6,9-10,12-13H2,1H3,(H,24,27,28)/t16-/m1/s1
InChIKeyRXVXQHUUXPTXAP-MRXNPFEDSA-N
XLogP2.85
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.56
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentane-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

Related Compounds

5-amino-N-[1-(3-cyclopentyloxyphenyl)ethyl]pentane-1-sulfonamide
CID 155346979
N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-6,6-dimethylheptane-1-sulfonamide
CID 146353248
3-[[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]sulfamoyl]propyl acetate
CID 139451649
N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-3-(methoxymethoxy)propane-1-sulfonamide
CID 70661422
1-[5-[(2R)-2-(3-cyclopentyloxyphenyl)propyl]sulfonylpentyl]pyrimidine-2,4-dione
CID 58218256
N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-3-(2,4-dioxopyrimidin-1-yl)-N-methoxypropane-1-sulfonamide
CID 44544448
3-(methoxymethoxy)-N-[(1R)-1-[3-(oxan-4-yloxy)phenyl]ethyl]propane-1-sulfonamide
CID 70661427
3-[[(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethyl]sulfamoyl]propyl acetate
CID 153312148
(1R)-1-(3-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007530
N-[(1R)-1-(3-cyclopentyloxyphenyl)butyl]-3-(methoxymethoxy)propane-1-sulfonamide
CID 89127982
5-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-[4-fluoro-3-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]ethyl]pentane-1-sulfonamide
CID 134543936
N-[1-(3-cyclopentyloxyphenyl)ethyl]butan-2-amine
CID 132649569

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentane-1-sulfonamide?
The IUPAC name of N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentane-1-sulfonamide (CID 53233948) is N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentane-1-sulfonamide.
What is the SMILES notation for N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentane-1-sulfonamide?
The canonical SMILES for N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentane-1-sulfonamide is C[C@@H](NS(=O)(=O)CCCCCn1cc(F)c(=O)[nH]c1=O)c1cccc(OC2CCCC2)c1.
What is the InChIKey of N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentane-1-sulfonamide?
The InChIKey is RXVXQHUUXPTXAP-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H30FN3O5S/c1-16(17-8-7-11-19(14-17)31-18-9-3-4-10-18)25-32(29,30)13-6-2-5-12-26-15-20(23)21(27)24-22(26)28/h7-8,11,14-16,18,25H,2-6,9-10,12-13H2,1H3,(H,24,27,28)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentane-1-sulfonamide?
N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentane-1-sulfonamide has a molecular weight of 467.56 g/mol, XLogP of 2.85, 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-cyclopentyloxyphenyl)ethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentane-1-sulfonamide is sourced from PubChem (CID 53233948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).