N-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide

C21H25N3O6S — CID 1367443

IUPACN-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1N(C[C@H](O)CN1C(=O)NC(C)(C)C1=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H25N3O6S/c1-21(2)19(26)23(20(27)22-21)13-15(25)14-24(17-11-7-8-12-18(17)30-3)31(28,29)16-9-5-4-6-10-16/h4-12,15,25H,13-14H2,1-3H3,(H,22,27)/t15-/m1/s1
InChIKeyDYXCDYJNUAKKIV-OAHLLOKOSA-N
MW447.51 g/mol
LogP1.58
Rot. Bonds8

About N-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide

N-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide (PubChem CID 1367443) has the molecular formula C21H25N3O6S and a molecular weight of 447.51 g/mol. Its IUPAC name is N-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide
PubChem CID1367443
Molecular FormulaC21H25N3O6S
Molecular Weight447.51 g/mol
Exact Mass447.15
IUPAC NameN-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1N(C[C@H](O)CN1C(=O)NC(C)(C)C1=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H25N3O6S/c1-21(2)19(26)23(20(27)22-21)13-15(25)14-24(17-11-7-8-12-18(17)30-3)31(28,29)16-9-5-4-6-10-16/h4-12,15,25H,13-14H2,1-3H3,(H,22,27)/t15-/m1/s1
InChIKeyDYXCDYJNUAKKIV-OAHLLOKOSA-N
XLogP1.58
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 1125455
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 3152323
N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 1125478
[3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dimethylazanium
CID 3431498
N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 6549429
[3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dimethylazanium chloride
CID 44657756
N-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 1149874
N-[2-hydroxy-3-(2-methylphenoxy)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 4598465
[3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-bis(2-methylpropyl)azanium chloride
CID 44657317
N-[3-(dibutylamino)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 3715769
N-[(2R)-3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 95389641
N-[2-hydroxy-3-(4-methyl-N-methylsulfonylanilino)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 16801172

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide (CID 1367443) is N-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide is COc1ccccc1N(C[C@H](O)CN1C(=O)NC(C)(C)C1=O)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is DYXCDYJNUAKKIV-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25N3O6S/c1-21(2)19(26)23(20(27)22-21)13-15(25)14-24(17-11-7-8-12-18(17)30-3)31(28,29)16-9-5-4-6-10-16/h4-12,15,25H,13-14H2,1-3H3,(H,22,27)/t15-/m1/s1.
What are the key properties of N-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide?
N-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide has a molecular weight of 447.51 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 1367443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).