1-[5-[(2R)-2-[4-chloro-3-(cyclopropylmethoxy)phenyl]butyl]sulfonylpentyl]imidazolidine-2,4-dione

C22H31ClN2O5S — CID 161192128

IUPAC1-[5-[(2R)-2-[4-chloro-3-(cyclopropylmethoxy)phenyl]butyl]sulfonylpentyl]imidazolidine-2,4-dione
SMILESCC[C@@H](CS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(Cl)c(OCC2CC2)c1
InChIInChI=1S/C22H31ClN2O5S/c1-2-17(18-8-9-19(23)20(12-18)30-14-16-6-7-16)15-31(28,29)11-5-3-4-10-25-13-21(26)24-22(25)27/h8-9,12,16-17H,2-7,10-11,13-15H2,1H3,(H,24,26,27)/t17-/m0/s1
InChIKeyUTVZEXRBFHCPMI-KRWDZBQOSA-N
MW471.02 g/mol
LogP3.76
Rot. Bonds13

About 1-[5-[(2R)-2-[4-chloro-3-(cyclopropylmethoxy)phenyl]butyl]sulfonylpentyl]imidazolidine-2,4-dione

1-[5-[(2R)-2-[4-chloro-3-(cyclopropylmethoxy)phenyl]butyl]sulfonylpentyl]imidazolidine-2,4-dione (PubChem CID 161192128) has the molecular formula C22H31ClN2O5S and a molecular weight of 471.02 g/mol. Its IUPAC name is 1-[5-[(2R)-2-[4-chloro-3-(cyclopropylmethoxy)phenyl]butyl]sulfonylpentyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[5-[(2R)-2-[4-chloro-3-(cyclopropylmethoxy)phenyl]butyl]sulfonylpentyl]imidazolidine-2,4-dione
PubChem CID161192128
Molecular FormulaC22H31ClN2O5S
Molecular Weight471.02 g/mol
Exact Mass470.16
IUPAC Name1-[5-[(2R)-2-[4-chloro-3-(cyclopropylmethoxy)phenyl]butyl]sulfonylpentyl]imidazolidine-2,4-dione
SMILESCC[C@@H](CS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(Cl)c(OCC2CC2)c1
InChIInChI=1S/C22H31ClN2O5S/c1-2-17(18-8-9-19(23)20(12-18)30-14-16-6-7-16)15-31(28,29)11-5-3-4-10-25-13-21(26)24-22(25)27/h8-9,12,16-17H,2-7,10-11,13-15H2,1H3,(H,24,26,27)/t17-/m0/s1
InChIKeyUTVZEXRBFHCPMI-KRWDZBQOSA-N
XLogP3.76
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.02
LogP ≤ 53.76
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-[4-chloro-3-(cyclopropylmethoxy)phenyl]butyl]sulfonylpentyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[5-[(2R)-2-[4-chloro-3-(cyclopropylmethoxy)phenyl]butyl]sulfonylpentyl]imidazolidine-2,4-dione (CID 161192128) is 1-[5-[(2R)-2-[4-chloro-3-(cyclopropylmethoxy)phenyl]butyl]sulfonylpentyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[5-[(2R)-2-[4-chloro-3-(cyclopropylmethoxy)phenyl]butyl]sulfonylpentyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[5-[(2R)-2-[4-chloro-3-(cyclopropylmethoxy)phenyl]butyl]sulfonylpentyl]imidazolidine-2,4-dione is CC[C@@H](CS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(Cl)c(OCC2CC2)c1.
What is the InChIKey of 1-[5-[(2R)-2-[4-chloro-3-(cyclopropylmethoxy)phenyl]butyl]sulfonylpentyl]imidazolidine-2,4-dione?
The InChIKey is UTVZEXRBFHCPMI-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H31ClN2O5S/c1-2-17(18-8-9-19(23)20(12-18)30-14-16-6-7-16)15-31(28,29)11-5-3-4-10-25-13-21(26)24-22(25)27/h8-9,12,16-17H,2-7,10-11,13-15H2,1H3,(H,24,26,27)/t17-/m0/s1.
What are the key properties of 1-[5-[(2R)-2-[4-chloro-3-(cyclopropylmethoxy)phenyl]butyl]sulfonylpentyl]imidazolidine-2,4-dione?
1-[5-[(2R)-2-[4-chloro-3-(cyclopropylmethoxy)phenyl]butyl]sulfonylpentyl]imidazolidine-2,4-dione has a molecular weight of 471.02 g/mol, XLogP of 3.76, 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-[4-chloro-3-(cyclopropylmethoxy)phenyl]butyl]sulfonylpentyl]imidazolidine-2,4-dione is sourced from PubChem (CID 161192128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).