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

C18H19N3O5S — CID 141127653

IUPAC1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-phenoxyphenyl)ethyl]methanesulfonamide
SMILESO=C1NC(=O)[C@@H](CS(=O)(=O)NCCc2ccc(Oc3ccccc3)cc2)N1
InChIInChI=1S/C18H19N3O5S/c22-17-16(20-18(23)21-17)12-27(24,25)19-11-10-13-6-8-15(9-7-13)26-14-4-2-1-3-5-14/h1-9,16,19H,10-12H2,(H2,20,21,22,23)/t16-/m1/s1
InChIKeyFJADQUPPVODPBS-MRXNPFEDSA-N
MW389.43 g/mol
LogP1.15
Rot. Bonds8

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

1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-phenoxyphenyl)ethyl]methanesulfonamide (PubChem CID 141127653) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is 1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-phenoxyphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-phenoxyphenyl)ethyl]methanesulfonamide
PubChem CID141127653
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-phenoxyphenyl)ethyl]methanesulfonamide
SMILESO=C1NC(=O)[C@@H](CS(=O)(=O)NCCc2ccc(Oc3ccccc3)cc2)N1
InChIInChI=1S/C18H19N3O5S/c22-17-16(20-18(23)21-17)12-27(24,25)19-11-10-13-6-8-15(9-7-13)26-14-4-2-1-3-5-14/h1-9,16,19H,10-12H2,(H2,20,21,22,23)/t16-/m1/s1
InChIKeyFJADQUPPVODPBS-MRXNPFEDSA-N
XLogP1.15
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.15
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

1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(4-phenoxyphenyl)methyl]methanesulfonamide
CID 141127657
1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]methanesulfonamide
CID 110722226
N-benzyl-N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(4-methoxyphenoxy)benzenesulfonamide
CID 66907928
N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2-(4-methylphenoxy)benzenesulfonamide
CID 70000463
1-(4-chlorophenyl)-N-[(2,5-dioxoimidazolidin-4-yl)methyl]methanesulfonamide
CID 110722375
N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-4-(2-methoxyphenoxy)benzenesulfonamide
CID 59710560
4-(2-chlorophenoxy)-N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]benzenesulfonamide
CID 59710547
N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(2-methylphenoxy)benzenesulfonamide
CID 66907731
1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene
CID 130400104
N-[2-(4-chlorophenyl)ethyl]-4-phenoxyaniline
CID 54796770
2-[2-(4-phenoxyphenyl)ethylamino]acetaldehyde
CID 115223204
4-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)benzamide
CID 27006017

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-phenoxyphenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-phenoxyphenyl)ethyl]methanesulfonamide (CID 141127653) is 1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-phenoxyphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-phenoxyphenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-phenoxyphenyl)ethyl]methanesulfonamide is O=C1NC(=O)[C@@H](CS(=O)(=O)NCCc2ccc(Oc3ccccc3)cc2)N1.
What is the InChIKey of 1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-phenoxyphenyl)ethyl]methanesulfonamide?
The InChIKey is FJADQUPPVODPBS-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19N3O5S/c22-17-16(20-18(23)21-17)12-27(24,25)19-11-10-13-6-8-15(9-7-13)26-14-4-2-1-3-5-14/h1-9,16,19H,10-12H2,(H2,20,21,22,23)/t16-/m1/s1.
What are the key properties of 1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-phenoxyphenyl)ethyl]methanesulfonamide?
1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-phenoxyphenyl)ethyl]methanesulfonamide has a molecular weight of 389.43 g/mol, XLogP of 1.15, 8 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-[2-(4-phenoxyphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 141127653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).