1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(4-phenoxyphenyl)methyl]methanesulfonamide

C17H17N3O5S — CID 141127657

IUPAC1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(4-phenoxyphenyl)methyl]methanesulfonamide
SMILESO=C1NC(=O)[C@@H](CS(=O)(=O)NCc2ccc(Oc3ccccc3)cc2)N1
InChIInChI=1S/C17H17N3O5S/c21-16-15(19-17(22)20-16)11-26(23,24)18-10-12-6-8-14(9-7-12)25-13-4-2-1-3-5-13/h1-9,15,18H,10-11H2,(H2,19,20,21,22)/t15-/m1/s1
InChIKeyWUUNZMSUNQCDNC-OAHLLOKOSA-N
MW375.41 g/mol
LogP1.11
Rot. Bonds7

About 1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(4-phenoxyphenyl)methyl]methanesulfonamide

1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(4-phenoxyphenyl)methyl]methanesulfonamide (PubChem CID 141127657) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is 1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(4-phenoxyphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(4-phenoxyphenyl)methyl]methanesulfonamide
PubChem CID141127657
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC Name1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(4-phenoxyphenyl)methyl]methanesulfonamide
SMILESO=C1NC(=O)[C@@H](CS(=O)(=O)NCc2ccc(Oc3ccccc3)cc2)N1
InChIInChI=1S/C17H17N3O5S/c21-16-15(19-17(22)20-16)11-26(23,24)18-10-12-6-8-14(9-7-12)25-13-4-2-1-3-5-13/h1-9,15,18H,10-11H2,(H2,19,20,21,22)/t15-/m1/s1
InChIKeyWUUNZMSUNQCDNC-OAHLLOKOSA-N
XLogP1.11
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(4-phenoxyphenyl)methyl]methanesulfonamide?
The IUPAC name of 1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(4-phenoxyphenyl)methyl]methanesulfonamide (CID 141127657) is 1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(4-phenoxyphenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(4-phenoxyphenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(4-phenoxyphenyl)methyl]methanesulfonamide is O=C1NC(=O)[C@@H](CS(=O)(=O)NCc2ccc(Oc3ccccc3)cc2)N1.
What is the InChIKey of 1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(4-phenoxyphenyl)methyl]methanesulfonamide?
The InChIKey is WUUNZMSUNQCDNC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17N3O5S/c21-16-15(19-17(22)20-16)11-26(23,24)18-10-12-6-8-14(9-7-12)25-13-4-2-1-3-5-13/h1-9,15,18H,10-11H2,(H2,19,20,21,22)/t15-/m1/s1.
What are the key properties of 1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(4-phenoxyphenyl)methyl]methanesulfonamide?
1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(4-phenoxyphenyl)methyl]methanesulfonamide has a molecular weight of 375.41 g/mol, XLogP of 1.11, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(4-phenoxyphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 141127657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).