N-[5-(cyclopropylmethoxy)-6-fluoronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide

C22H26FN3O5S — CID 155370192

IUPACN-[5-(cyclopropylmethoxy)-6-fluoronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
SMILESO=C1CN(CCCCCS(=O)(=O)Nc2cccc3c(OCC4CC4)c(F)ccc23)C(=O)N1
InChIInChI=1S/C22H26FN3O5S/c23-18-10-9-16-17(21(18)31-14-15-7-8-15)5-4-6-19(16)25-32(29,30)12-3-1-2-11-26-13-20(27)24-22(26)28/h4-6,9-10,15,25H,1-3,7-8,11-14H2,(H,24,27,28)
InChIKeyMKSJJARRNVODHP-UHFFFAOYSA-N
MW463.53 g/mol
LogP3.23
Rot. Bonds11

About N-[5-(cyclopropylmethoxy)-6-fluoronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide

N-[5-(cyclopropylmethoxy)-6-fluoronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide (PubChem CID 155370192) has the molecular formula C22H26FN3O5S and a molecular weight of 463.53 g/mol. Its IUPAC name is N-[5-(cyclopropylmethoxy)-6-fluoronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-(cyclopropylmethoxy)-6-fluoronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
PubChem CID155370192
Molecular FormulaC22H26FN3O5S
Molecular Weight463.53 g/mol
Exact Mass463.16
IUPAC NameN-[5-(cyclopropylmethoxy)-6-fluoronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
SMILESO=C1CN(CCCCCS(=O)(=O)Nc2cccc3c(OCC4CC4)c(F)ccc23)C(=O)N1
InChIInChI=1S/C22H26FN3O5S/c23-18-10-9-16-17(21(18)31-14-15-7-8-15)5-4-6-19(16)25-32(29,30)12-3-1-2-11-26-13-20(27)24-22(26)28/h4-6,9-10,15,25H,1-3,7-8,11-14H2,(H,24,27,28)
InChIKeyMKSJJARRNVODHP-UHFFFAOYSA-N
XLogP3.23
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 53.23
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-[7-chloro-8-(cyclopropylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 134553813
N-[(1R)-1-[5-(cyclopropylmethoxy)-4-fluoro-1H-pyrrol-2-yl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 148944581
N-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(oxetan-3-yl)methyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 142360664
N-[6-chloro-5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 134553812
N-[(1S)-6-chloro-5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370023
N-[(R)-[3-(cyclopropylmethoxy)-4-fluorophenyl]-(1-methylazetidin-3-yl)methyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370104
N-[1-[3-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 134553913
1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclobutyl]methylsulfonyl]pentyl]imidazolidine-2,4-dione
CID 149254670
N-[(1R)-1-[3-chloro-5-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370092
N-[(1R)-1-[2-(cyclopropylmethoxy)-4-pyridinyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155369984
1-[5-[(2R)-2-[5-(cyclopropylmethoxy)-2-fluoro-4-methylphenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 157177623
1-[5-[2-[3-[3-(cyclopropylmethoxy)-4-fluorophenyl]azetidin-3-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360872

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylmethoxy)-6-fluoronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The IUPAC name of N-[5-(cyclopropylmethoxy)-6-fluoronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide (CID 155370192) is N-[5-(cyclopropylmethoxy)-6-fluoronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide.
What is the SMILES notation for N-[5-(cyclopropylmethoxy)-6-fluoronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The canonical SMILES for N-[5-(cyclopropylmethoxy)-6-fluoronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide is O=C1CN(CCCCCS(=O)(=O)Nc2cccc3c(OCC4CC4)c(F)ccc23)C(=O)N1.
What is the InChIKey of N-[5-(cyclopropylmethoxy)-6-fluoronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The InChIKey is MKSJJARRNVODHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O5S/c23-18-10-9-16-17(21(18)31-14-15-7-8-15)5-4-6-19(16)25-32(29,30)12-3-1-2-11-26-13-20(27)24-22(26)28/h4-6,9-10,15,25H,1-3,7-8,11-14H2,(H,24,27,28).
What are the key properties of N-[5-(cyclopropylmethoxy)-6-fluoronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
N-[5-(cyclopropylmethoxy)-6-fluoronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide has a molecular weight of 463.53 g/mol, XLogP of 3.23, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylmethoxy)-6-fluoronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide is sourced from PubChem (CID 155370192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).