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

C23H33FN2O5S — CID 147150908

IUPAC1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3-methylbutyl]sulfonylpentyl]imidazolidine-2,4-dione
SMILESCC(C)[C@@H](CS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C23H33FN2O5S/c1-16(2)19(18-8-9-20(24)21(12-18)31-14-17-6-7-17)15-32(29,30)11-5-3-4-10-26-13-22(27)25-23(26)28/h8-9,12,16-17,19H,3-7,10-11,13-15H2,1-2H3,(H,25,27,28)/t19-/m1/s1
InChIKeyBTYWQAHKBVUYMU-LJQANCHMSA-N
MW468.59 g/mol
LogP3.49
Rot. Bonds13

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

1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3-methylbutyl]sulfonylpentyl]imidazolidine-2,4-dione (PubChem CID 147150908) has the molecular formula C23H33FN2O5S and a molecular weight of 468.59 g/mol. Its IUPAC name is 1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3-methylbutyl]sulfonylpentyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3-methylbutyl]sulfonylpentyl]imidazolidine-2,4-dione
PubChem CID147150908
Molecular FormulaC23H33FN2O5S
Molecular Weight468.59 g/mol
Exact Mass468.21
IUPAC Name1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3-methylbutyl]sulfonylpentyl]imidazolidine-2,4-dione
SMILESCC(C)[C@@H](CS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C23H33FN2O5S/c1-16(2)19(18-8-9-20(24)21(12-18)31-14-17-6-7-17)15-32(29,30)11-5-3-4-10-26-13-22(27)25-23(26)28/h8-9,12,16-17,19H,3-7,10-11,13-15H2,1-2H3,(H,25,27,28)/t19-/m1/s1
InChIKeyBTYWQAHKBVUYMU-LJQANCHMSA-N
XLogP3.49
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.59
LogP ≤ 53.49
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]-3-methylbutyl]sulfonylpentyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3-methylbutyl]sulfonylpentyl]imidazolidine-2,4-dione (CID 147150908) is 1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3-methylbutyl]sulfonylpentyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3-methylbutyl]sulfonylpentyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3-methylbutyl]sulfonylpentyl]imidazolidine-2,4-dione is CC(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]-3-methylbutyl]sulfonylpentyl]imidazolidine-2,4-dione?
The InChIKey is BTYWQAHKBVUYMU-LJQANCHMSA-N. The full InChI is InChI=1S/C23H33FN2O5S/c1-16(2)19(18-8-9-20(24)21(12-18)31-14-17-6-7-17)15-32(29,30)11-5-3-4-10-26-13-22(27)25-23(26)28/h8-9,12,16-17,19H,3-7,10-11,13-15H2,1-2H3,(H,25,27,28)/t19-/m1/s1.
What are the key properties of 1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3-methylbutyl]sulfonylpentyl]imidazolidine-2,4-dione?
1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3-methylbutyl]sulfonylpentyl]imidazolidine-2,4-dione has a molecular weight of 468.59 g/mol, XLogP of 3.49, 13 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]-3-methylbutyl]sulfonylpentyl]imidazolidine-2,4-dione is sourced from PubChem (CID 147150908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).