tert-butyl 2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate

C25H30ClN3O6S — CID 57223837

IUPACtert-butyl 2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
SMILESCN1C(=O)N(CC(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C(=O)OC(C)(C)C)C(=O)C1(C)C
InChIInChI=1S/C25H30ClN3O6S/c1-24(2,3)35-21(30)20(15-29-22(31)25(4,5)28(6)23(29)32)27-36(33,34)19-13-9-17(10-14-19)16-7-11-18(26)12-8-16/h7-14,20,27H,15H2,1-6H3
InChIKeyDMVKFLOCDGMHJK-UHFFFAOYSA-N
MW536.05 g/mol
LogP3.67
Rot. Bonds7

About tert-butyl 2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate

tert-butyl 2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate (PubChem CID 57223837) has the molecular formula C25H30ClN3O6S and a molecular weight of 536.05 g/mol. Its IUPAC name is tert-butyl 2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate.

Molecular Properties

Compound Nametert-butyl 2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
PubChem CID57223837
Molecular FormulaC25H30ClN3O6S
Molecular Weight536.05 g/mol
Exact Mass535.15
IUPAC Nametert-butyl 2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
SMILESCN1C(=O)N(CC(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C(=O)OC(C)(C)C)C(=O)C1(C)C
InChIInChI=1S/C25H30ClN3O6S/c1-24(2,3)35-21(30)20(15-29-22(31)25(4,5)28(6)23(29)32)27-36(33,34)19-13-9-17(10-14-19)16-7-11-18(26)12-8-16/h7-14,20,27H,15H2,1-6H3
InChIKeyDMVKFLOCDGMHJK-UHFFFAOYSA-N
XLogP3.67
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.05
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-[(4-chlorophenyl)sulfonylamino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 90891648
tert-butyl 4-amino-2-[(4-phenylphenyl)sulfonylamino]butanoate
CID 75113060
tert-butyl (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-methylpentanoate
CID 10767122
tert-butyl 4-[[4-(4-chlorophenyl)phenyl]sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 69287682
tert-butyl (2S)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-hydroxypropanoate;tert-butyl (2S)-2-[[4-(4-chlorophenyl)phenyl]sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-hydroxypropanoate
CID 158677698
2-[[4-(4-chlorophenyl)phenyl]sulfanylmethyl]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
CID 23505494
tert-butyl 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
CID 14666516
tert-butyl (2S)-4-methyl-2-[(4-nitrophenyl)sulfonylamino]pentanoate
CID 10970738
ditert-butyl (2R)-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylamino]pentanedioate
CID 67589850
(2S)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-5-(1,3-dioxoisoindol-2-yl)pentanoic acid
CID 54443289
4-(benzenesulfonamido)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 22975704
tert-butyl 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-methylbutanoate
CID 70212133

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate?
The IUPAC name of tert-butyl 2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate (CID 57223837) is tert-butyl 2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate.
What is the SMILES notation for tert-butyl 2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate?
The canonical SMILES for tert-butyl 2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate is CN1C(=O)N(CC(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C(=O)OC(C)(C)C)C(=O)C1(C)C.
What is the InChIKey of tert-butyl 2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate?
The InChIKey is DMVKFLOCDGMHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O6S/c1-24(2,3)35-21(30)20(15-29-22(31)25(4,5)28(6)23(29)32)27-36(33,34)19-13-9-17(10-14-19)16-7-11-18(26)12-8-16/h7-14,20,27H,15H2,1-6H3.
What are the key properties of tert-butyl 2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate?
tert-butyl 2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate has a molecular weight of 536.05 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate is sourced from PubChem (CID 57223837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).