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

C23H32FN3O5S — CID 134541362

IUPACN-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
SMILESCC1(C)C(=O)NC(=O)N1CCCCCS(=O)(=O)NC1(c2ccc(F)c(OCC3CC3)c2)CC1
InChIInChI=1S/C23H32FN3O5S/c1-22(2)20(28)25-21(29)27(22)12-4-3-5-13-33(30,31)26-23(10-11-23)17-8-9-18(24)19(14-17)32-15-16-6-7-16/h8-9,14,16,26H,3-7,10-13,15H2,1-2H3,(H,25,28,29)
InChIKeyVPVHQBKILYGMQJ-UHFFFAOYSA-N
MW481.59 g/mol
LogP3.02
Rot. Bonds12

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

N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide (PubChem CID 134541362) has the molecular formula C23H32FN3O5S and a molecular weight of 481.59 g/mol. Its IUPAC name is N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
PubChem CID134541362
Molecular FormulaC23H32FN3O5S
Molecular Weight481.59 g/mol
Exact Mass481.20
IUPAC NameN-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
SMILESCC1(C)C(=O)NC(=O)N1CCCCCS(=O)(=O)NC1(c2ccc(F)c(OCC3CC3)c2)CC1
InChIInChI=1S/C23H32FN3O5S/c1-22(2)20(28)25-21(29)27(22)12-4-3-5-13-33(30,31)26-23(10-11-23)17-8-9-18(24)19(14-17)32-15-16-6-7-16/h8-9,14,16,26H,3-7,10-13,15H2,1-2H3,(H,25,28,29)
InChIKeyVPVHQBKILYGMQJ-UHFFFAOYSA-N
XLogP3.02
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 53.02
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-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2-oxo-4-sulfanylideneimidazolidin-1-yl)pentane-1-sulfonamide
CID 134553826
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370251
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]pentane-1-sulfonamide
CID 134553899
5-amino-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]pentane-1-sulfonamide
CID 135218464
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
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
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]cyclopropyl]amino]sulfanylpentyl]imidazolidine-2,4-dione
CID 145227574

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The IUPAC name of N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide (CID 134541362) is N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide.
What is the SMILES notation for N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The canonical SMILES for N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide is CC1(C)C(=O)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-2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The InChIKey is VPVHQBKILYGMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O5S/c1-22(2)20(28)25-21(29)27(22)12-4-3-5-13-33(30,31)26-23(10-11-23)17-8-9-18(24)19(14-17)32-15-16-6-7-16/h8-9,14,16,26H,3-7,10-13,15H2,1-2H3,(H,25,28,29).
What are the key properties of N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide has a molecular weight of 481.59 g/mol, XLogP of 3.02, 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-2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide is sourced from PubChem (CID 134541362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).