N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcyclopropanecarboxamide;methyl N-[4-[2-(5-chloroindol-1-yl)propanoylamino]phenyl]sulfonylcarbamate;methyl N-[4-[[2-(3-cyanoindol-1-yl)acetyl]amino]phenyl]sulfonylcarbamate;molecular hydrogen

C59H66ClFN10O14S3 — CID 160684202

IUPACN-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcyclopropanecarboxamide;methyl N-[4-[2-(5-chloroindol-1-yl)propanoylamino]phenyl]sulfonylcarbamate;methyl N-[4-[[2-(3-cyanoindol-1-yl)acetyl]amino]phenyl]sulfonylcarbamate;molecular hydrogen
SMILESCOC(=O)NS(=O)(=O)c1ccc(NC(=O)C(C)n2ccc3cc(Cl)ccc32)cc1.COC(=O)NS(=O)(=O)c1ccc(NC(=O)Cn2cc(C#N)c3ccccc32)cc1.C[C@H](C(=O)Nc1ccc(S(=O)(=O)NC(=O)C2CC2)cc1)n1ccc2c(F)cccc21.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C21H20FN3O4S.C19H18ClN3O5S.C19H16N4O5S.6H2/c1-13(25-12-11-17-18(22)3-2-4-19(17)25)20(26)23-15-7-9-16(10-8-15)30(28,29)24-21(27)14-5-6-14;1-12(23-10-9-13-11-14(20)3-8-17(13)23)18(24)21-15-4-6-16(7-5-15)29(26,27)22-19(25)28-2;1-28-19(25)22-29(26,27)15-8-6-14(7-9-15)21-18(24)12-23-11-13(10-20)16-4-2-3-5-17(16)23;;;;;;/h2-4,7-14H,5-6H2,1H3,(H,23,26)(H,24,27);3-12H,1-2H3,(H,21,24)(H,22,25);2-9,11H,12H2,1H3,(H,21,24)(H,22,25);6*1H/t13-;;;;;;;;/m1......../s1
InChIKeyRONSGWBABHVOAL-XMFMNBLESA-N
MW1289.88 g/mol
LogP10.41
Rot. Bonds16

About N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcyclopropanecarboxamide;methyl N-[4-[2-(5-chloroindol-1-yl)propanoylamino]phenyl]sulfonylcarbamate;methyl N-[4-[[2-(3-cyanoindol-1-yl)acetyl]amino]phenyl]sulfonylcarbamate;molecular hydrogen

N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcyclopropanecarboxamide;methyl N-[4-[2-(5-chloroindol-1-yl)propanoylamino]phenyl]sulfonylcarbamate;methyl N-[4-[[2-(3-cyanoindol-1-yl)acetyl]amino]phenyl]sulfonylcarbamate;molecular hydrogen (PubChem CID 160684202) has the molecular formula C59H66ClFN10O14S3 and a molecular weight of 1289.88 g/mol. Its IUPAC name is N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcyclopropanecarboxamide;methyl N-[4-[2-(5-chloroindol-1-yl)propanoylamino]phenyl]sulfonylcarbamate;methyl N-[4-[[2-(3-cyanoindol-1-yl)acetyl]amino]phenyl]sulfonylcarbamate;molecular hydrogen.

Molecular Properties

Compound NameN-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcyclopropanecarboxamide;methyl N-[4-[2-(5-chloroindol-1-yl)propanoylamino]phenyl]sulfonylcarbamate;methyl N-[4-[[2-(3-cyanoindol-1-yl)acetyl]amino]phenyl]sulfonylcarbamate;molecular hydrogen
PubChem CID160684202
Molecular FormulaC59H66ClFN10O14S3
Molecular Weight1289.88 g/mol
Exact Mass1288.36
IUPAC NameN-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcyclopropanecarboxamide;methyl N-[4-[2-(5-chloroindol-1-yl)propanoylamino]phenyl]sulfonylcarbamate;methyl N-[4-[[2-(3-cyanoindol-1-yl)acetyl]amino]phenyl]sulfonylcarbamate;molecular hydrogen
SMILESCOC(=O)NS(=O)(=O)c1ccc(NC(=O)C(C)n2ccc3cc(Cl)ccc32)cc1.COC(=O)NS(=O)(=O)c1ccc(NC(=O)Cn2cc(C#N)c3ccccc32)cc1.C[C@H](C(=O)Nc1ccc(S(=O)(=O)NC(=O)C2CC2)cc1)n1ccc2c(F)cccc21.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C21H20FN3O4S.C19H18ClN3O5S.C19H16N4O5S.6H2/c1-13(25-12-11-17-18(22)3-2-4-19(17)25)20(26)23-15-7-9-16(10-8-15)30(28,29)24-21(27)14-5-6-14;1-12(23-10-9-13-11-14(20)3-8-17(13)23)18(24)21-15-4-6-16(7-5-15)29(26,27)22-19(25)28-2;1-28-19(25)22-29(26,27)15-8-6-14(7-9-15)21-18(24)12-23-11-13(10-20)16-4-2-3-5-17(16)23;;;;;;/h2-4,7-14H,5-6H2,1H3,(H,23,26)(H,24,27);3-12H,1-2H3,(H,21,24)(H,22,25);2-9,11H,12H2,1H3,(H,21,24)(H,22,25);6*1H/t13-;;;;;;;;/m1......../s1
InChIKeyRONSGWBABHVOAL-XMFMNBLESA-N
XLogP10.41
TPSA334.06 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001289.88
LogP ≤ 510.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcyclopropanecarboxamide;methyl N-[4-[2-(5-chloroindol-1-yl)propanoylamino]phenyl]sulfonylcarbamate;methyl N-[4-[[2-(3-cyanoindol-1-yl)acetyl]amino]phenyl]sulfonylcarbamate;molecular hydrogen with MolForge

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Related Compounds

methyl N-[4-[2-(4-chloro-2-methylphenoxy)propanoylamino]phenyl]sulfonylcarbamate;methyl N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate;methyl N-[4-[[(2R)-2-(7-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate;molecular hydrogen
CID 158061657
methyl N-[4-[[(2S)-2-(4-fluoroindol-1-yl)-4-methylpentanoyl]amino]phenyl]sulfonylcarbamate;molecular hydrogen
CID 158855980
ethyl N-[4-[2-(4-fluoroindol-1-yl)propanoylamino]phenyl]sulfonylcarbamate
CID 91136011
methyl N-[4-[[(2S)-2-(6-chloroindol-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate
CID 25117821
methyl N-[4-[[2-(5-chloro-3-methylindol-1-yl)acetyl]amino]phenyl]sulfonylcarbamate;molecular hydrogen
CID 158590328
pent-2-ynyl N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate
CID 25117457
(4-fluorophenyl) N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate
CID 25120295
methyl N-[4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]phenyl]sulfonylcarbamate;molecular hydrogen
CID 159692435
2-(3-cyanoindol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 951761
methyl N-[4-[[(2R)-2-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate;molecular hydrogen
CID 161433660
N-[4-(carbamoylsulfamoyl)phenyl]-3-(5-chloroindol-1-yl)propanamide;molecular hydrogen
CID 157439819
2-(4-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 88544010

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcyclopropanecarboxamide;methyl N-[4-[2-(5-chloroindol-1-yl)propanoylamino]phenyl]sulfonylcarbamate;methyl N-[4-[[2-(3-cyanoindol-1-yl)acetyl]amino]phenyl]sulfonylcarbamate;molecular hydrogen?
The IUPAC name of N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcyclopropanecarboxamide;methyl N-[4-[2-(5-chloroindol-1-yl)propanoylamino]phenyl]sulfonylcarbamate;methyl N-[4-[[2-(3-cyanoindol-1-yl)acetyl]amino]phenyl]sulfonylcarbamate;molecular hydrogen (CID 160684202) is N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcyclopropanecarboxamide;methyl N-[4-[2-(5-chloroindol-1-yl)propanoylamino]phenyl]sulfonylcarbamate;methyl N-[4-[[2-(3-cyanoindol-1-yl)acetyl]amino]phenyl]sulfonylcarbamate;molecular hydrogen.
What is the SMILES notation for N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcyclopropanecarboxamide;methyl N-[4-[2-(5-chloroindol-1-yl)propanoylamino]phenyl]sulfonylcarbamate;methyl N-[4-[[2-(3-cyanoindol-1-yl)acetyl]amino]phenyl]sulfonylcarbamate;molecular hydrogen?
The canonical SMILES for N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcyclopropanecarboxamide;methyl N-[4-[2-(5-chloroindol-1-yl)propanoylamino]phenyl]sulfonylcarbamate;methyl N-[4-[[2-(3-cyanoindol-1-yl)acetyl]amino]phenyl]sulfonylcarbamate;molecular hydrogen is COC(=O)NS(=O)(=O)c1ccc(NC(=O)C(C)n2ccc3cc(Cl)ccc32)cc1.COC(=O)NS(=O)(=O)c1ccc(NC(=O)Cn2cc(C#N)c3ccccc32)cc1.C[C@H](C(=O)Nc1ccc(S(=O)(=O)NC(=O)C2CC2)cc1)n1ccc2c(F)cccc21.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcyclopropanecarboxamide;methyl N-[4-[2-(5-chloroindol-1-yl)propanoylamino]phenyl]sulfonylcarbamate;methyl N-[4-[[2-(3-cyanoindol-1-yl)acetyl]amino]phenyl]sulfonylcarbamate;molecular hydrogen?
The InChIKey is RONSGWBABHVOAL-XMFMNBLESA-N. The full InChI is InChI=1S/C21H20FN3O4S.C19H18ClN3O5S.C19H16N4O5S.6H2/c1-13(25-12-11-17-18(22)3-2-4-19(17)25)20(26)23-15-7-9-16(10-8-15)30(28,29)24-21(27)14-5-6-14;1-12(23-10-9-13-11-14(20)3-8-17(13)23)18(24)21-15-4-6-16(7-5-15)29(26,27)22-19(25)28-2;1-28-19(25)22-29(26,27)15-8-6-14(7-9-15)21-18(24)12-23-11-13(10-20)16-4-2-3-5-17(16)23;;;;;;/h2-4,7-14H,5-6H2,1H3,(H,23,26)(H,24,27);3-12H,1-2H3,(H,21,24)(H,22,25);2-9,11H,12H2,1H3,(H,21,24)(H,22,25);6*1H/t13-;;;;;;;;/m1......../s1.
What are the key properties of N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcyclopropanecarboxamide;methyl N-[4-[2-(5-chloroindol-1-yl)propanoylamino]phenyl]sulfonylcarbamate;methyl N-[4-[[2-(3-cyanoindol-1-yl)acetyl]amino]phenyl]sulfonylcarbamate;molecular hydrogen?
N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcyclopropanecarboxamide;methyl N-[4-[2-(5-chloroindol-1-yl)propanoylamino]phenyl]sulfonylcarbamate;methyl N-[4-[[2-(3-cyanoindol-1-yl)acetyl]amino]phenyl]sulfonylcarbamate;molecular hydrogen has a molecular weight of 1289.88 g/mol, XLogP of 10.41, 16 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcyclopropanecarboxamide;methyl N-[4-[2-(5-chloroindol-1-yl)propanoylamino]phenyl]sulfonylcarbamate;methyl N-[4-[[2-(3-cyanoindol-1-yl)acetyl]amino]phenyl]sulfonylcarbamate;molecular hydrogen is sourced from PubChem (CID 160684202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).