(2S)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide;(2R)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide

C60H50Br2N4O6S2 — CID 139043635

IUPAC(2S)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide;(2R)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide
SMILESCc1ccc(S(=O)(=O)N(C(=O)[C@@H](c2ccccc2)c2cn(C)c3ccc(Br)cc23)c2ccccc2)cc1.Cc1ccc(S(=O)(=O)N(C(=O)[C@H](c2ccccc2)c2cn(C)c3ccc(Br)cc23)c2ccccc2)cc1
InChIInChI=1S/2C30H25BrN2O3S/c2*1-21-13-16-25(17-14-21)37(35,36)33(24-11-7-4-8-12-24)30(34)29(22-9-5-3-6-10-22)27-20-32(2)28-18-15-23(31)19-26(27)28/h2*3-20,29H,1-2H3/t2*29-/m10/s1
InChIKeyPPUJOWXRJGUWGN-QMUMRZNJSA-N
MW1147.02 g/mol
LogP13.61
Rot. Bonds12

About (2S)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide;(2R)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide

(2S)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide;(2R)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide (PubChem CID 139043635) has the molecular formula C60H50Br2N4O6S2 and a molecular weight of 1147.02 g/mol. Its IUPAC name is (2S)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide;(2R)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide.

Molecular Properties

Compound Name(2S)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide;(2R)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide
PubChem CID139043635
Molecular FormulaC60H50Br2N4O6S2
Molecular Weight1147.02 g/mol
Exact Mass1144.15
IUPAC Name(2S)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide;(2R)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide
SMILESCc1ccc(S(=O)(=O)N(C(=O)[C@@H](c2ccccc2)c2cn(C)c3ccc(Br)cc23)c2ccccc2)cc1.Cc1ccc(S(=O)(=O)N(C(=O)[C@H](c2ccccc2)c2cn(C)c3ccc(Br)cc23)c2ccccc2)cc1
InChIInChI=1S/2C30H25BrN2O3S/c2*1-21-13-16-25(17-14-21)37(35,36)33(24-11-7-4-8-12-24)30(34)29(22-9-5-3-6-10-22)27-20-32(2)28-18-15-23(31)19-26(27)28/h2*3-20,29H,1-2H3/t2*29-/m10/s1
InChIKeyPPUJOWXRJGUWGN-QMUMRZNJSA-N
XLogP13.61
TPSA118.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001147.02
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2S)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide;(2R)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide with MolForge

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Related Compounds

(3Z)-1-(4-methylphenyl)sulfonyl-3-[[1-(4-methylphenyl)sulfonylindol-3-yl]methylidene]indol-2-one
CID 49844847
5-Bromo-3-[[5-bromo-1-(4-fluorophenyl)sulfonylindol-3-yl]-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylindole
CID 73353818
2-(1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide
CID 122381443
N-[2-(5-bromo-1H-indol-3-yl)ethyl]-N-[4-[2-(5-bromo-1H-indol-3-yl)ethyl-(4-methylphenyl)sulfonylamino]but-2-enyl]-4-methylbenzenesulfonamide
CID 123586745
2-(5-bromo-1H-indol-3-yl)-N-(4-methylphenyl)sulfonylacetamide
CID 134909149
N-(4-bromophenyl)sulfonyl-2-(2-butyl-1-methylindol-3-yl)-N,2-diphenylacetamide
CID 135064385
(E)-N,N'-Bis[2-(5-bromo-1H-indol-3-yl)ethyl]-N,N'-(but-2-ene-1,4-diyl)bis(4-methylbenzenesulfonamide)
CID 139082273
1-Methyl-3-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-3-phenylindol-2-one
CID 162418055
2-(5-fluoro-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide
CID 122381441
(2R)-5-(6-bromo-1H-indol-3-yl)-2-[6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]-2,3-dihydro-1H-pyrazin-6-one
CID 11093464
3-[5-Bromo-1-(4-methylphenyl)sulfonylindol-3-yl]pyrrole-2,5-dione
CID 10203929
1-Methyl-3-(1-methylindol-3-yl)-4-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrole-2,5-dione
CID 11081769

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide;(2R)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide?
The IUPAC name of (2S)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide;(2R)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide (CID 139043635) is (2S)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide;(2R)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide.
What is the SMILES notation for (2S)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide;(2R)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide?
The canonical SMILES for (2S)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide;(2R)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide is Cc1ccc(S(=O)(=O)N(C(=O)[C@@H](c2ccccc2)c2cn(C)c3ccc(Br)cc23)c2ccccc2)cc1.Cc1ccc(S(=O)(=O)N(C(=O)[C@H](c2ccccc2)c2cn(C)c3ccc(Br)cc23)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide;(2R)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide?
The InChIKey is PPUJOWXRJGUWGN-QMUMRZNJSA-N. The full InChI is InChI=1S/2C30H25BrN2O3S/c2*1-21-13-16-25(17-14-21)37(35,36)33(24-11-7-4-8-12-24)30(34)29(22-9-5-3-6-10-22)27-20-32(2)28-18-15-23(31)19-26(27)28/h2*3-20,29H,1-2H3/t2*29-/m10/s1.
What are the key properties of (2S)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide;(2R)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide?
(2S)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide;(2R)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide has a molecular weight of 1147.02 g/mol, XLogP of 13.61, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide;(2R)-2-(5-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide is sourced from PubChem (CID 139043635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).