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

C21H30FN3O5S — CID 155347003

IUPACN-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pentane-1-sulfonamide
SMILESCC(NS(=O)(=O)CCCCCN1C(=O)NC(=O)[C@@H]1C)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C21H30FN3O5S/c1-14(17-8-9-18(22)19(12-17)30-13-16-6-7-16)24-31(28,29)11-5-3-4-10-25-15(2)20(26)23-21(25)27/h8-9,12,14-16,24H,3-7,10-11,13H2,1-2H3,(H,23,26,27)/t14?,15-/m0/s1
InChIKeyIDXFRPYZAKNNDT-LOACHALJSA-N
MW455.55 g/mol
LogP2.71
Rot. Bonds12

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

N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pentane-1-sulfonamide (PubChem CID 155347003) has the molecular formula C21H30FN3O5S and a molecular weight of 455.55 g/mol. Its IUPAC name is N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pentane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pentane-1-sulfonamide
PubChem CID155347003
Molecular FormulaC21H30FN3O5S
Molecular Weight455.55 g/mol
Exact Mass455.19
IUPAC NameN-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pentane-1-sulfonamide
SMILESCC(NS(=O)(=O)CCCCCN1C(=O)NC(=O)[C@@H]1C)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C21H30FN3O5S/c1-14(17-8-9-18(22)19(12-17)30-13-16-6-7-16)24-31(28,29)11-5-3-4-10-25-15(2)20(26)23-21(25)27/h8-9,12,14-16,24H,3-7,10-11,13H2,1-2H3,(H,23,26,27)/t14?,15-/m0/s1
InChIKeyIDXFRPYZAKNNDT-LOACHALJSA-N
XLogP2.71
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.55
LogP ≤ 52.71
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-[4-fluoro-3-(2-methylpropoxy)phenyl]ethyl]-5-(5-methyl-2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155346996
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(5-hydroxy-3-oxo-1,2,4-triazolidin-1-yl)pentane-1-sulfonamide
CID 135198079
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370251
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(5-oxo-1,4-dihydropyrazol-3-yl)pentane-1-sulfonamide
CID 155370144
3-[5-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoyl]pentyl]-2,5-dioxoimidazolidine-1-carboxylic acid
CID 134544015
N-[(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-4-(methylamino)butane-1-sulfonamide
CID 146228258
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(2,6-dioxopiperidin-3-yl)amino]pentane-1-sulfonamide
CID 135378834
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 146352863
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-[(2,5-dioxopyrrolidin-3-yl)methoxy]propane-1-sulfonamide
CID 146426259
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-(1,3-dioxoisoindol-5-yl)propane-1-sulfonamide
CID 146228283
N-[(R)-cyclopropyl-[3-(cyclopropylmethoxy)-4-fluorophenyl]methyl]-5-(2-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl)pentane-1-sulfonamide
CID 155370263
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide
CID 146353456

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pentane-1-sulfonamide?
The IUPAC name of N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pentane-1-sulfonamide (CID 155347003) is N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pentane-1-sulfonamide.
What is the SMILES notation for N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pentane-1-sulfonamide?
The canonical SMILES for N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pentane-1-sulfonamide is CC(NS(=O)(=O)CCCCCN1C(=O)NC(=O)[C@@H]1C)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pentane-1-sulfonamide?
The InChIKey is IDXFRPYZAKNNDT-LOACHALJSA-N. The full InChI is InChI=1S/C21H30FN3O5S/c1-14(17-8-9-18(22)19(12-17)30-13-16-6-7-16)24-31(28,29)11-5-3-4-10-25-15(2)20(26)23-21(25)27/h8-9,12,14-16,24H,3-7,10-11,13H2,1-2H3,(H,23,26,27)/t14?,15-/m0/s1.
What are the key properties of N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pentane-1-sulfonamide?
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pentane-1-sulfonamide has a molecular weight of 455.55 g/mol, XLogP of 2.71, 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]ethyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pentane-1-sulfonamide is sourced from PubChem (CID 155347003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).