N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2-oxo-4-sulfanylideneimidazolidin-1-yl)pentane-1-sulfonamide

C23H32FN3O4S2 — CID 134553826

IUPACN-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2-oxo-4-sulfanylideneimidazolidin-1-yl)pentane-1-sulfonamide
SMILESCC1(C)C(=S)NC(=O)N1CCCCCS(=O)(=O)NC1(c2ccc(F)c(OCC3CC3)c2)CC1
InChIInChI=1S/C23H32FN3O4S2/c1-22(2)20(32)25-21(28)27(22)12-4-3-5-13-33(29,30)26-23(10-11-23)17-8-9-18(24)19(14-17)31-15-16-6-7-16/h8-9,14,16,26H,3-7,10-13,15H2,1-2H3,(H,25,28,32)
InChIKeyFKDYJFWBQVQVGV-UHFFFAOYSA-N
MW497.66 g/mol
LogP3.82
Rot. Bonds12

About N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2-oxo-4-sulfanylideneimidazolidin-1-yl)pentane-1-sulfonamide

N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2-oxo-4-sulfanylideneimidazolidin-1-yl)pentane-1-sulfonamide (PubChem CID 134553826) has the molecular formula C23H32FN3O4S2 and a molecular weight of 497.66 g/mol. Its IUPAC name is N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2-oxo-4-sulfanylideneimidazolidin-1-yl)pentane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2-oxo-4-sulfanylideneimidazolidin-1-yl)pentane-1-sulfonamide
PubChem CID134553826
Molecular FormulaC23H32FN3O4S2
Molecular Weight497.66 g/mol
Exact Mass497.18
IUPAC NameN-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2-oxo-4-sulfanylideneimidazolidin-1-yl)pentane-1-sulfonamide
SMILESCC1(C)C(=S)NC(=O)N1CCCCCS(=O)(=O)NC1(c2ccc(F)c(OCC3CC3)c2)CC1
InChIInChI=1S/C23H32FN3O4S2/c1-22(2)20(32)25-21(28)27(22)12-4-3-5-13-33(29,30)26-23(10-11-23)17-8-9-18(24)19(14-17)31-15-16-6-7-16/h8-9,14,16,26H,3-7,10-13,15H2,1-2H3,(H,25,28,32)
InChIKeyFKDYJFWBQVQVGV-UHFFFAOYSA-N
XLogP3.82
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.66
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 134541362
5-amino-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]pentane-1-sulfonamide
CID 135218464
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]pentane-1-sulfonamide
CID 134553899
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-7,7-dimethyloctane-1-sulfonamide
CID 146352826
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-3-methoxypropane-1-sulfonamide
CID 170119509
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370251
(E)-5-(5,5-dimethyl-2-oxo-4-sulfanylideneimidazolidin-1-yl)-N-[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]pent-3-ene-1-sulfonamide
CID 134553830
3-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methoxy]-N-[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]propane-1-sulfonamide
CID 170116672
N-[1-[3-(cycloheptylmethoxy)-4-fluorophenyl]cyclopropyl]but-3-ene-1-sulfonamide
CID 162462712
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(2,6-dioxopiperidin-3-yl)pent-3-ene-1-sulfonamide
CID 140886486
(E)-N-[1-[3-(cycloheptylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(2,4-dioxoimidazolidin-1-yl)pent-3-ene-1-sulfonamide
CID 162462714
(E)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-6-(2,6-dioxopiperidin-3-yl)hex-2-ene-1-sulfonamide
CID 146228099

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2-oxo-4-sulfanylideneimidazolidin-1-yl)pentane-1-sulfonamide?
The IUPAC name of N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2-oxo-4-sulfanylideneimidazolidin-1-yl)pentane-1-sulfonamide (CID 134553826) is N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2-oxo-4-sulfanylideneimidazolidin-1-yl)pentane-1-sulfonamide.
What is the SMILES notation for N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2-oxo-4-sulfanylideneimidazolidin-1-yl)pentane-1-sulfonamide?
The canonical SMILES for N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2-oxo-4-sulfanylideneimidazolidin-1-yl)pentane-1-sulfonamide is CC1(C)C(=S)NC(=O)N1CCCCCS(=O)(=O)NC1(c2ccc(F)c(OCC3CC3)c2)CC1.
What is the InChIKey of N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2-oxo-4-sulfanylideneimidazolidin-1-yl)pentane-1-sulfonamide?
The InChIKey is FKDYJFWBQVQVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O4S2/c1-22(2)20(32)25-21(28)27(22)12-4-3-5-13-33(29,30)26-23(10-11-23)17-8-9-18(24)19(14-17)31-15-16-6-7-16/h8-9,14,16,26H,3-7,10-13,15H2,1-2H3,(H,25,28,32).
What are the key properties of N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2-oxo-4-sulfanylideneimidazolidin-1-yl)pentane-1-sulfonamide?
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2-oxo-4-sulfanylideneimidazolidin-1-yl)pentane-1-sulfonamide has a molecular weight of 497.66 g/mol, XLogP of 3.82, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2-oxo-4-sulfanylideneimidazolidin-1-yl)pentane-1-sulfonamide is sourced from PubChem (CID 134553826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).