tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(1-methylimidazol-2-yl)-2,3-dihydroindol-5-yl]amino]acetate

C24H26Cl2N4O4S — CID 59277138

IUPACtert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(1-methylimidazol-2-yl)-2,3-dihydroindol-5-yl]amino]acetate
SMILESCn1ccnc1N1CCc2cc(N(CC(=O)OC(C)(C)C)S(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc21
InChIInChI=1S/C24H26Cl2N4O4S/c1-24(2,3)34-22(31)15-30(35(32,33)20-13-17(25)12-18(26)14-20)19-5-6-21-16(11-19)7-9-29(21)23-27-8-10-28(23)4/h5-6,8,10-14H,7,9,15H2,1-4H3
InChIKeyLGJWUVLOLHRVMZ-UHFFFAOYSA-N
MW537.47 g/mol
LogP4.96
Rot. Bonds6

About tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(1-methylimidazol-2-yl)-2,3-dihydroindol-5-yl]amino]acetate

tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(1-methylimidazol-2-yl)-2,3-dihydroindol-5-yl]amino]acetate (PubChem CID 59277138) has the molecular formula C24H26Cl2N4O4S and a molecular weight of 537.47 g/mol. Its IUPAC name is tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(1-methylimidazol-2-yl)-2,3-dihydroindol-5-yl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(1-methylimidazol-2-yl)-2,3-dihydroindol-5-yl]amino]acetate
PubChem CID59277138
Molecular FormulaC24H26Cl2N4O4S
Molecular Weight537.47 g/mol
Exact Mass536.11
IUPAC Nametert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(1-methylimidazol-2-yl)-2,3-dihydroindol-5-yl]amino]acetate
SMILESCn1ccnc1N1CCc2cc(N(CC(=O)OC(C)(C)C)S(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc21
InChIInChI=1S/C24H26Cl2N4O4S/c1-24(2,3)34-22(31)15-30(35(32,33)20-13-17(25)12-18(26)14-20)19-5-6-21-16(11-19)7-9-29(21)23-27-8-10-28(23)4/h5-6,8,10-14H,7,9,15H2,1-4H3
InChIKeyLGJWUVLOLHRVMZ-UHFFFAOYSA-N
XLogP4.96
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.47
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(1-methylimidazol-2-yl)-2,3-dihydroindol-5-yl]amino]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(1-methylimidazol-2-yl)-2,3-dihydroindol-5-yl]amino]acetate?
The IUPAC name of tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(1-methylimidazol-2-yl)-2,3-dihydroindol-5-yl]amino]acetate (CID 59277138) is tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(1-methylimidazol-2-yl)-2,3-dihydroindol-5-yl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(1-methylimidazol-2-yl)-2,3-dihydroindol-5-yl]amino]acetate?
The canonical SMILES for tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(1-methylimidazol-2-yl)-2,3-dihydroindol-5-yl]amino]acetate is Cn1ccnc1N1CCc2cc(N(CC(=O)OC(C)(C)C)S(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc21.
What is the InChIKey of tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(1-methylimidazol-2-yl)-2,3-dihydroindol-5-yl]amino]acetate?
The InChIKey is LGJWUVLOLHRVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4O4S/c1-24(2,3)34-22(31)15-30(35(32,33)20-13-17(25)12-18(26)14-20)19-5-6-21-16(11-19)7-9-29(21)23-27-8-10-28(23)4/h5-6,8,10-14H,7,9,15H2,1-4H3.
What are the key properties of tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(1-methylimidazol-2-yl)-2,3-dihydroindol-5-yl]amino]acetate?
tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(1-methylimidazol-2-yl)-2,3-dihydroindol-5-yl]amino]acetate has a molecular weight of 537.47 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(1-methylimidazol-2-yl)-2,3-dihydroindol-5-yl]amino]acetate is sourced from PubChem (CID 59277138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).