N-[(1R)-1-[3-chloro-5-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide

C20H27ClFN3O5S — CID 155370092

IUPACN-[(1R)-1-[3-chloro-5-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1cc(Cl)c(F)c(OCC2CC2)c1
InChIInChI=1S/C20H27ClFN3O5S/c1-13(15-9-16(21)19(22)17(10-15)30-12-14-5-6-14)24-31(28,29)8-4-2-3-7-25-11-18(26)23-20(25)27/h9-10,13-14,24H,2-8,11-12H2,1H3,(H,23,26,27)/t13-/m1/s1
InChIKeyZIFOBRMYQUWWQR-CYBMUJFWSA-N
MW475.97 g/mol
LogP2.97
Rot. Bonds12

About N-[(1R)-1-[3-chloro-5-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide

N-[(1R)-1-[3-chloro-5-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide (PubChem CID 155370092) has the molecular formula C20H27ClFN3O5S and a molecular weight of 475.97 g/mol. Its IUPAC name is N-[(1R)-1-[3-chloro-5-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-chloro-5-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
PubChem CID155370092
Molecular FormulaC20H27ClFN3O5S
Molecular Weight475.97 g/mol
Exact Mass475.13
IUPAC NameN-[(1R)-1-[3-chloro-5-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1cc(Cl)c(F)c(OCC2CC2)c1
InChIInChI=1S/C20H27ClFN3O5S/c1-13(15-9-16(21)19(22)17(10-15)30-12-14-5-6-14)24-31(28,29)8-4-2-3-7-25-11-18(26)23-20(25)27/h9-10,13-14,24H,2-8,11-12H2,1H3,(H,23,26,27)/t13-/m1/s1
InChIKeyZIFOBRMYQUWWQR-CYBMUJFWSA-N
XLogP2.97
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.97
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-[5-(cyclopropylmethoxy)-4-fluoro-1H-pyrrol-2-yl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 148944581
N-[(R)-[3-(cyclopropylmethoxy)-4-fluorophenyl]-(1-methylazetidin-3-yl)methyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370104
N-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(oxetan-3-yl)methyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 142360664
N-[(1S)-1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]ethyl]-5-(4-methylidene-2-oxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 145227534
1-[5-[(2R)-2-[4-chloro-3-(cyclopropylmethoxy)phenyl]butyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 161192128
N-[1-[3-(cyanomethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 153312100
5-(2,4-dioxoimidazolidin-1-yl)-N-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]pentane-1-sulfonamide
CID 134541500
N-[(1R)-1-[2-(cyclopropylmethoxy)-4-pyridinyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155369984
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370251
3-[5-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoyl]pentyl]-2,5-dioxoimidazolidine-1-carboxylic acid
CID 134544015
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pentane-1-sulfonamide
CID 155347003
1-[5-[(2R)-2-[5-(cyclopropylmethoxy)-2-fluoro-4-methylphenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 157177623

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-chloro-5-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The IUPAC name of N-[(1R)-1-[3-chloro-5-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide (CID 155370092) is N-[(1R)-1-[3-chloro-5-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide.
What is the SMILES notation for N-[(1R)-1-[3-chloro-5-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The canonical SMILES for N-[(1R)-1-[3-chloro-5-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide is C[C@@H](NS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1cc(Cl)c(F)c(OCC2CC2)c1.
What is the InChIKey of N-[(1R)-1-[3-chloro-5-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The InChIKey is ZIFOBRMYQUWWQR-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H27ClFN3O5S/c1-13(15-9-16(21)19(22)17(10-15)30-12-14-5-6-14)24-31(28,29)8-4-2-3-7-25-11-18(26)23-20(25)27/h9-10,13-14,24H,2-8,11-12H2,1H3,(H,23,26,27)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-[3-chloro-5-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
N-[(1R)-1-[3-chloro-5-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide has a molecular weight of 475.97 g/mol, XLogP of 2.97, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-chloro-5-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide is sourced from PubChem (CID 155370092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).