N-(2-methylcyclohexyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide

C25H30N2O3S — CID 43958367

IUPACN-(2-methylcyclohexyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESCc1ccccc1CS(=O)(=O)c1cn(CC(=O)NC2CCCCC2C)c2ccccc12
InChIInChI=1S/C25H30N2O3S/c1-18-9-3-5-11-20(18)17-31(29,30)24-15-27(23-14-8-6-12-21(23)24)16-25(28)26-22-13-7-4-10-19(22)2/h3,5-6,8-9,11-12,14-15,19,22H,4,7,10,13,16-17H2,1-2H3,(H,26,28)
InChIKeyCZMMPFWQRGPJFT-UHFFFAOYSA-N
MW438.59 g/mol
LogP4.62
Rot. Bonds6

About N-(2-methylcyclohexyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide

N-(2-methylcyclohexyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide (PubChem CID 43958367) has the molecular formula C25H30N2O3S and a molecular weight of 438.59 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
PubChem CID43958367
Molecular FormulaC25H30N2O3S
Molecular Weight438.59 g/mol
Exact Mass438.20
IUPAC NameN-(2-methylcyclohexyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESCc1ccccc1CS(=O)(=O)c1cn(CC(=O)NC2CCCCC2C)c2ccccc12
InChIInChI=1S/C25H30N2O3S/c1-18-9-3-5-11-20(18)17-31(29,30)24-15-27(23-14-8-6-12-21(23)24)16-25(28)26-22-13-7-4-10-19(22)2/h3,5-6,8-9,11-12,14-15,19,22H,4,7,10,13,16-17H2,1-2H3,(H,26,28)
InChIKeyCZMMPFWQRGPJFT-UHFFFAOYSA-N
XLogP4.62
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.59
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559089
1-(2-ethylpiperidin-1-yl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]ethanone
CID 43958360
2-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide
CID 30559286
N-(2-methylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900033
N-cycloheptyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559488
methyl 4-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzoate
CID 30559177
ethyl 1-[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]piperidine-4-carboxylate
CID 30558942
N-benzyl-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]-N-propan-2-ylacetamide
CID 30558914
N-(2,3-dimethylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900035
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 26745583
N-[(1S,2R)-2-methylcyclohexyl]-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354452
2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclododecylacetamide
CID 30554001

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide (CID 43958367) is N-(2-methylcyclohexyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide is Cc1ccccc1CS(=O)(=O)c1cn(CC(=O)NC2CCCCC2C)c2ccccc12.
What is the InChIKey of N-(2-methylcyclohexyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
The InChIKey is CZMMPFWQRGPJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3S/c1-18-9-3-5-11-20(18)17-31(29,30)24-15-27(23-14-8-6-12-21(23)24)16-25(28)26-22-13-7-4-10-19(22)2/h3,5-6,8-9,11-12,14-15,19,22H,4,7,10,13,16-17H2,1-2H3,(H,26,28).
What are the key properties of N-(2-methylcyclohexyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
N-(2-methylcyclohexyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide has a molecular weight of 438.59 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide is sourced from PubChem (CID 43958367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).