cyclopentyl N-[1-methyl-3-[[2-methyl-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]indol-5-yl]carbamate

C31H33N3O5S — CID 123601293

IUPACcyclopentyl N-[1-methyl-3-[[2-methyl-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]indol-5-yl]carbamate
SMILESCc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12
InChIInChI=1S/C31H33N3O5S/c1-20-8-4-7-11-29(20)40(37,38)33-30(35)23-13-12-22(21(2)16-23)17-24-19-34(3)28-15-14-25(18-27(24)28)32-31(36)39-26-9-5-6-10-26/h4,7-8,11-16,18-19,26H,5-6,9-10,17H2,1-3H3,(H,32,36)(H,33,35)
InChIKeyXWCOGGGKRYRZEG-UHFFFAOYSA-N
MW559.69 g/mol
LogP6.00
Rot. Bonds7

About cyclopentyl N-[1-methyl-3-[[2-methyl-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]indol-5-yl]carbamate

cyclopentyl N-[1-methyl-3-[[2-methyl-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]indol-5-yl]carbamate (PubChem CID 123601293) has the molecular formula C31H33N3O5S and a molecular weight of 559.69 g/mol. Its IUPAC name is cyclopentyl N-[1-methyl-3-[[2-methyl-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]indol-5-yl]carbamate.

Molecular Properties

Compound Namecyclopentyl N-[1-methyl-3-[[2-methyl-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]indol-5-yl]carbamate
PubChem CID123601293
Molecular FormulaC31H33N3O5S
Molecular Weight559.69 g/mol
Exact Mass559.21
IUPAC Namecyclopentyl N-[1-methyl-3-[[2-methyl-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]indol-5-yl]carbamate
SMILESCc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12
InChIInChI=1S/C31H33N3O5S/c1-20-8-4-7-11-29(20)40(37,38)33-30(35)23-13-12-22(21(2)16-23)17-24-19-34(3)28-15-14-25(18-27(24)28)32-31(36)39-26-9-5-6-10-26/h4,7-8,11-16,18-19,26H,5-6,9-10,17H2,1-3H3,(H,32,36)(H,33,35)
InChIKeyXWCOGGGKRYRZEG-UHFFFAOYSA-N
XLogP6.00
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.69
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze cyclopentyl N-[1-methyl-3-[[2-methyl-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]indol-5-yl]carbamate 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

potassium cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate
CID 11181062
calcium cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate
CID 23365845
sodium;cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate;hydride
CID 173138650
(1-deuteriocyclopentyl) N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate
CID 25192646
cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-(trideuteriomethyl)indol-5-yl]carbamate;cyclopentyl N-[3-[[2-methoxy-4-[[2-(trideuteriomethyl)phenyl]sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate;cyclopentyl N-[3-[[2-(trideuteriomethoxy)-4-[[2-(trideuteriomethyl)phenyl]sulfonylcarbamoyl]phenyl]methyl]-1-(trideuteriomethyl)indol-5-yl]carbamate;(1-deuteriocyclopentyl) N-[1-methyl-3-[[4-[(2-methylphenyl)sulfonylcarbamoyl]-2-(trideuteriomethoxy)phenyl]methyl]indol-5-yl]carbamate;(1,2,2,3,3,4,4,5,5-nonadeuteriocyclopentyl) N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate;(1,2,2,3,3,4,4,5,5-nonadeuteriocyclopentyl) N-[3-[[2-(trideuteriomethoxy)-4-[[2-(trideuteriomethyl)phenyl]sulfonylcarbamoyl]phenyl]methyl]-1-(trideuteriomethyl)indol-5-yl]carbamate
CID 160607404
(1-deuteriocyclopentyl) N-[3-[[4-[(2-methylphenyl)sulfonylcarbamoyl]-2-(trideuteriomethoxy)phenyl]methyl]-1-(trideuteriomethyl)indol-5-yl]carbamate
CID 25191140
(2,2,3,3,4,4,5,5-octadeuteriocyclopentyl) N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-(trideuteriomethyl)indol-5-yl]carbamate
CID 25191277
[4-[2-[[4-[[5-(cyclopentyloxycarbonylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoyl]sulfamoyl]phenyl]-2-methylbut-3-yn-2-yl] acetate
CID 67884075
cyclopentyl N-[2,3-bis[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-(trideuteriomethyl)indol-5-yl]carbamate
CID 171381529
[1-[2-[[4-[[5-(cyclopentyloxycarbonylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoyl]sulfamoyl]phenyl]-4-methylpent-1-yn-3-yl] acetate
CID 19793620
cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-2-methyl-1H-indol-5-yl]carbamate
CID 69084803
N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide;cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate
CID 67043163

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[1-methyl-3-[[2-methyl-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]indol-5-yl]carbamate?
The IUPAC name of cyclopentyl N-[1-methyl-3-[[2-methyl-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]indol-5-yl]carbamate (CID 123601293) is cyclopentyl N-[1-methyl-3-[[2-methyl-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]indol-5-yl]carbamate.
What is the SMILES notation for cyclopentyl N-[1-methyl-3-[[2-methyl-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]indol-5-yl]carbamate?
The canonical SMILES for cyclopentyl N-[1-methyl-3-[[2-methyl-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]indol-5-yl]carbamate is Cc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12.
What is the InChIKey of cyclopentyl N-[1-methyl-3-[[2-methyl-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]indol-5-yl]carbamate?
The InChIKey is XWCOGGGKRYRZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O5S/c1-20-8-4-7-11-29(20)40(37,38)33-30(35)23-13-12-22(21(2)16-23)17-24-19-34(3)28-15-14-25(18-27(24)28)32-31(36)39-26-9-5-6-10-26/h4,7-8,11-16,18-19,26H,5-6,9-10,17H2,1-3H3,(H,32,36)(H,33,35).
What are the key properties of cyclopentyl N-[1-methyl-3-[[2-methyl-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]indol-5-yl]carbamate?
cyclopentyl N-[1-methyl-3-[[2-methyl-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]indol-5-yl]carbamate has a molecular weight of 559.69 g/mol, XLogP of 6.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-[1-methyl-3-[[2-methyl-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]indol-5-yl]carbamate is sourced from PubChem (CID 123601293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).