N-[4-[[1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzoyl]-2,3-dihydroindol-5-yl]sulfamoyl]phenyl]acetamide

C37H41N5O5S — CID 143281086

IUPACN-[4-[[1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzoyl]-2,3-dihydroindol-5-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccc(CN3CCN(c4ccccc4OC(C)C)CC3)c2)cc1
InChIInChI=1S/C37H41N5O5S/c1-26(2)47-36-10-5-4-9-35(36)41-21-19-40(20-22-41)25-28-7-6-8-30(23-28)37(44)42-18-17-29-24-32(13-16-34(29)42)39-48(45,46)33-14-11-31(12-15-33)38-27(3)43/h4-16,23-24,26,39H,17-22,25H2,1-3H3,(H,38,43)
InChIKeyFOYLWRCKGRPECI-UHFFFAOYSA-N
MW667.83 g/mol
LogP5.76
Rot. Bonds10

About N-[4-[[1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzoyl]-2,3-dihydroindol-5-yl]sulfamoyl]phenyl]acetamide

N-[4-[[1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzoyl]-2,3-dihydroindol-5-yl]sulfamoyl]phenyl]acetamide (PubChem CID 143281086) has the molecular formula C37H41N5O5S and a molecular weight of 667.83 g/mol. Its IUPAC name is N-[4-[[1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzoyl]-2,3-dihydroindol-5-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzoyl]-2,3-dihydroindol-5-yl]sulfamoyl]phenyl]acetamide
PubChem CID143281086
Molecular FormulaC37H41N5O5S
Molecular Weight667.83 g/mol
Exact Mass667.28
IUPAC NameN-[4-[[1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzoyl]-2,3-dihydroindol-5-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccc(CN3CCN(c4ccccc4OC(C)C)CC3)c2)cc1
InChIInChI=1S/C37H41N5O5S/c1-26(2)47-36-10-5-4-9-35(36)41-21-19-40(20-22-41)25-28-7-6-8-30(23-28)37(44)42-18-17-29-24-32(13-16-34(29)42)39-48(45,46)33-14-11-31(12-15-33)38-27(3)43/h4-16,23-24,26,39H,17-22,25H2,1-3H3,(H,38,43)
InChIKeyFOYLWRCKGRPECI-UHFFFAOYSA-N
XLogP5.76
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.83
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzoyl]-2,3-dihydroindol-5-yl]sulfamoyl]phenyl]acetamide with MolForge

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Related Compounds

(5-fluoro-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone
CID 58692272
[5-(1,3-benzodioxol-5-ylmethylamino)-2,3-dihydroindol-1-yl]-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone
CID 58692253
2,6-dimethoxy-N-[1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzoyl]-2,3-dihydroindol-6-yl]benzamide
CID 91207748
but-2-enedioic acid;1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzoyl]piperidin-2-one
CID 70152371
2,6-difluoro-N-[1-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]benzoyl]-2,3-dihydroindol-6-yl]benzenesulfonamide
CID 11995781
N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide
CID 112506160
N,N-diethyl-1-[3-(pyrrolidin-1-ylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 60560523
N-(4-acetamidophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109057111
1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidine-2,6-dione
CID 10622766
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide
CID 27444717
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide
CID 27557632
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]acetamide
CID 40687880

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzoyl]-2,3-dihydroindol-5-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzoyl]-2,3-dihydroindol-5-yl]sulfamoyl]phenyl]acetamide (CID 143281086) is N-[4-[[1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzoyl]-2,3-dihydroindol-5-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzoyl]-2,3-dihydroindol-5-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzoyl]-2,3-dihydroindol-5-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccc(CN3CCN(c4ccccc4OC(C)C)CC3)c2)cc1.
What is the InChIKey of N-[4-[[1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzoyl]-2,3-dihydroindol-5-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is FOYLWRCKGRPECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41N5O5S/c1-26(2)47-36-10-5-4-9-35(36)41-21-19-40(20-22-41)25-28-7-6-8-30(23-28)37(44)42-18-17-29-24-32(13-16-34(29)42)39-48(45,46)33-14-11-31(12-15-33)38-27(3)43/h4-16,23-24,26,39H,17-22,25H2,1-3H3,(H,38,43).
What are the key properties of N-[4-[[1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzoyl]-2,3-dihydroindol-5-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzoyl]-2,3-dihydroindol-5-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 667.83 g/mol, XLogP of 5.76, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzoyl]-2,3-dihydroindol-5-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 143281086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).