N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[5-(2,4-dioxoimidazolidin-1-yl)-1H-pyrrol-2-yl]ethanesulfonamide

C21H25FN4O5S — CID 155370062

IUPACN-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[5-(2,4-dioxoimidazolidin-1-yl)-1H-pyrrol-2-yl]ethanesulfonamide
SMILESC[C@@H](NS(=O)(=O)CCc1ccc(N2CC(=O)NC2=O)[nH]1)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C21H25FN4O5S/c1-13(15-4-6-17(22)18(10-15)31-12-14-2-3-14)25-32(29,30)9-8-16-5-7-19(23-16)26-11-20(27)24-21(26)28/h4-7,10,13-14,23,25H,2-3,8-9,11-12H2,1H3,(H,24,27,28)/t13-/m1/s1
InChIKeyXMSKPUWKMPRCFA-CYBMUJFWSA-N
MW464.52 g/mol
LogP2.22
Rot. Bonds10

About N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[5-(2,4-dioxoimidazolidin-1-yl)-1H-pyrrol-2-yl]ethanesulfonamide

N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[5-(2,4-dioxoimidazolidin-1-yl)-1H-pyrrol-2-yl]ethanesulfonamide (PubChem CID 155370062) has the molecular formula C21H25FN4O5S and a molecular weight of 464.52 g/mol. Its IUPAC name is N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[5-(2,4-dioxoimidazolidin-1-yl)-1H-pyrrol-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[5-(2,4-dioxoimidazolidin-1-yl)-1H-pyrrol-2-yl]ethanesulfonamide
PubChem CID155370062
Molecular FormulaC21H25FN4O5S
Molecular Weight464.52 g/mol
Exact Mass464.15
IUPAC NameN-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[5-(2,4-dioxoimidazolidin-1-yl)-1H-pyrrol-2-yl]ethanesulfonamide
SMILESC[C@@H](NS(=O)(=O)CCc1ccc(N2CC(=O)NC2=O)[nH]1)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C21H25FN4O5S/c1-13(15-4-6-17(22)18(10-15)31-12-14-2-3-14)25-32(29,30)9-8-16-5-7-19(23-16)26-11-20(27)24-21(26)28/h4-7,10,13-14,23,25H,2-3,8-9,11-12H2,1H3,(H,24,27,28)/t13-/m1/s1
InChIKeyXMSKPUWKMPRCFA-CYBMUJFWSA-N
XLogP2.22
TPSA120.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[4-(2,4-dioxoimidazolidin-1-yl)furan-2-yl]ethanesulfonamide
CID 155370072
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[6-(2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]ethanesulfonamide
CID 155370232
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-(1,3-dioxoisoindol-5-yl)propane-1-sulfonamide
CID 146228283
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-[(2,5-dioxopyrrolidin-3-yl)methoxy]propane-1-sulfonamide
CID 146426259
N-[(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-4-(methylamino)butane-1-sulfonamide
CID 146228258
1-[6-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]butyl]pyridazin-3-yl]imidazolidine-2,4-dione
CID 134553849
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]pyrimidin-2-yl]methanesulfonamide
CID 155370165
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pentane-1-sulfonamide
CID 155347003
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(5-oxo-1,4-dihydropyrazol-3-yl)pentane-1-sulfonamide
CID 155370144
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]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]-1,3-oxazol-2-yl]methanesulfonamide
CID 155370215
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 146352863

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[5-(2,4-dioxoimidazolidin-1-yl)-1H-pyrrol-2-yl]ethanesulfonamide?
The IUPAC name of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[5-(2,4-dioxoimidazolidin-1-yl)-1H-pyrrol-2-yl]ethanesulfonamide (CID 155370062) is N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[5-(2,4-dioxoimidazolidin-1-yl)-1H-pyrrol-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[5-(2,4-dioxoimidazolidin-1-yl)-1H-pyrrol-2-yl]ethanesulfonamide?
The canonical SMILES for N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[5-(2,4-dioxoimidazolidin-1-yl)-1H-pyrrol-2-yl]ethanesulfonamide is C[C@@H](NS(=O)(=O)CCc1ccc(N2CC(=O)NC2=O)[nH]1)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[5-(2,4-dioxoimidazolidin-1-yl)-1H-pyrrol-2-yl]ethanesulfonamide?
The InChIKey is XMSKPUWKMPRCFA-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H25FN4O5S/c1-13(15-4-6-17(22)18(10-15)31-12-14-2-3-14)25-32(29,30)9-8-16-5-7-19(23-16)26-11-20(27)24-21(26)28/h4-7,10,13-14,23,25H,2-3,8-9,11-12H2,1H3,(H,24,27,28)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[5-(2,4-dioxoimidazolidin-1-yl)-1H-pyrrol-2-yl]ethanesulfonamide?
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[5-(2,4-dioxoimidazolidin-1-yl)-1H-pyrrol-2-yl]ethanesulfonamide has a molecular weight of 464.52 g/mol, XLogP of 2.22, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[5-(2,4-dioxoimidazolidin-1-yl)-1H-pyrrol-2-yl]ethanesulfonamide is sourced from PubChem (CID 155370062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).