1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione

C21H29FN2O5S — CID 147172010

IUPAC1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione
SMILESC[C@@H](CS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C21H29FN2O5S/c1-15(17-7-8-18(22)19(11-17)29-13-16-5-6-16)14-30(27,28)10-4-2-3-9-24-12-20(25)23-21(24)26/h7-8,11,15-16H,2-6,9-10,12-14H2,1H3,(H,23,25,26)/t15-/m0/s1
InChIKeyBXXCDSHGHCQSEZ-HNNXBMFYSA-N
MW440.54 g/mol
LogP2.85
Rot. Bonds12

About 1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione

1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione (PubChem CID 147172010) has the molecular formula C21H29FN2O5S and a molecular weight of 440.54 g/mol. Its IUPAC name is 1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione
PubChem CID147172010
Molecular FormulaC21H29FN2O5S
Molecular Weight440.54 g/mol
Exact Mass440.18
IUPAC Name1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione
SMILESC[C@@H](CS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C21H29FN2O5S/c1-15(17-7-8-18(22)19(11-17)29-13-16-5-6-16)14-30(27,28)10-4-2-3-9-24-12-20(25)23-21(24)26/h7-8,11,15-16H,2-6,9-10,12-14H2,1H3,(H,23,25,26)/t15-/m0/s1
InChIKeyBXXCDSHGHCQSEZ-HNNXBMFYSA-N
XLogP2.85
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.85
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione (CID 147172010) is 1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione is C[C@@H](CS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione?
The InChIKey is BXXCDSHGHCQSEZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H29FN2O5S/c1-15(17-7-8-18(22)19(11-17)29-13-16-5-6-16)14-30(27,28)10-4-2-3-9-24-12-20(25)23-21(24)26/h7-8,11,15-16H,2-6,9-10,12-14H2,1H3,(H,23,25,26)/t15-/m0/s1.
What are the key properties of 1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione?
1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione has a molecular weight of 440.54 g/mol, XLogP of 2.85, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione is sourced from PubChem (CID 147172010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).