N-cycloheptyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide

C25H30N2O3S — CID 30559488

IUPACN-cycloheptyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESCc1ccc(CS(=O)(=O)c2cn(CC(=O)NC3CCCCCC3)c3ccccc23)cc1
InChIInChI=1S/C25H30N2O3S/c1-19-12-14-20(15-13-19)18-31(29,30)24-16-27(23-11-7-6-10-22(23)24)17-25(28)26-21-8-4-2-3-5-9-21/h6-7,10-16,21H,2-5,8-9,17-18H2,1H3,(H,26,28)
InChIKeyKDCOUTIHAATSLK-UHFFFAOYSA-N
MW438.59 g/mol
LogP4.76
Rot. Bonds6

About N-cycloheptyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide

N-cycloheptyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide (PubChem CID 30559488) has the molecular formula C25H30N2O3S and a molecular weight of 438.59 g/mol. Its IUPAC name is N-cycloheptyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
PubChem CID30559488
Molecular FormulaC25H30N2O3S
Molecular Weight438.59 g/mol
Exact Mass438.20
IUPAC NameN-cycloheptyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESCc1ccc(CS(=O)(=O)c2cn(CC(=O)NC3CCCCCC3)c3ccccc23)cc1
InChIInChI=1S/C25H30N2O3S/c1-19-12-14-20(15-13-19)18-31(29,30)24-16-27(23-11-7-6-10-22(23)24)17-25(28)26-21-8-4-2-3-5-9-21/h6-7,10-16,21H,2-5,8-9,17-18H2,1H3,(H,26,28)
InChIKeyKDCOUTIHAATSLK-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclododecylacetamide
CID 30554001
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 26745583
N-butyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559422
N-butan-2-yl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 43958381
N-(3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911133
2-(3-benzylsulfonylindol-1-yl)-N-(cyclohexylmethyl)acetamide
CID 54589378
N-[(2-chlorophenyl)methyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911124
N-cycloheptyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935986
N-[4-(dimethylamino)phenyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911097
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 30559600
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 43958376
2-[3-[2-(cyclopentylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide
CID 18563389

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
The IUPAC name of N-cycloheptyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide (CID 30559488) is N-cycloheptyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide is Cc1ccc(CS(=O)(=O)c2cn(CC(=O)NC3CCCCCC3)c3ccccc23)cc1.
What is the InChIKey of N-cycloheptyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
The InChIKey is KDCOUTIHAATSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3S/c1-19-12-14-20(15-13-19)18-31(29,30)24-16-27(23-11-7-6-10-22(23)24)17-25(28)26-21-8-4-2-3-5-9-21/h6-7,10-16,21H,2-5,8-9,17-18H2,1H3,(H,26,28).
What are the key properties of N-cycloheptyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
N-cycloheptyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide has a molecular weight of 438.59 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide is sourced from PubChem (CID 30559488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).