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

C27H28N2O3S — CID 30292566

IUPAC2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1cccc(CS(=O)(=O)c2cn(CC(=O)Nc3ccc(C(C)C)cc3)c3ccccc23)c1
InChIInChI=1S/C27H28N2O3S/c1-19(2)22-11-13-23(14-12-22)28-27(30)17-29-16-26(24-9-4-5-10-25(24)29)33(31,32)18-21-8-6-7-20(3)15-21/h4-16,19H,17-18H2,1-3H3,(H,28,30)
InChIKeySCJGDBAQCZZANI-UHFFFAOYSA-N
MW460.60 g/mol
LogP5.69
Rot. Bonds7

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

2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 30292566) has the molecular formula C27H28N2O3S and a molecular weight of 460.60 g/mol. Its IUPAC name is 2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID30292566
Molecular FormulaC27H28N2O3S
Molecular Weight460.60 g/mol
Exact Mass460.18
IUPAC Name2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1cccc(CS(=O)(=O)c2cn(CC(=O)Nc3ccc(C(C)C)cc3)c3ccccc23)c1
InChIInChI=1S/C27H28N2O3S/c1-19(2)22-11-13-23(14-12-22)28-27(30)17-29-16-26(24-9-4-5-10-25(24)29)33(31,32)18-21-8-6-7-20(3)15-21/h4-16,19H,17-18H2,1-3H3,(H,28,30)
InChIKeySCJGDBAQCZZANI-UHFFFAOYSA-N
XLogP5.69
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.60
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 30292300
N-(3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911133
N-(2-methoxyphenyl)-2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292518
N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292273
N-(2-chloro-4-methylphenyl)-2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292117
2-(3-benzylsulfonylindol-1-yl)-N-(3,4-dichlorophenyl)acetamide
CID 30558816
2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 30291970
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-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide
CID 30292020
2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
CID 30292624
2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 20911233

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 30292566) is 2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]-N-(4-propan-2-ylphenyl)acetamide is Cc1cccc(CS(=O)(=O)c2cn(CC(=O)Nc3ccc(C(C)C)cc3)c3ccccc23)c1.
What is the InChIKey of 2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is SCJGDBAQCZZANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3S/c1-19(2)22-11-13-23(14-12-22)28-27(30)17-29-16-26(24-9-4-5-10-25(24)29)33(31,32)18-21-8-6-7-20(3)15-21/h4-16,19H,17-18H2,1-3H3,(H,28,30).
What are the key properties of 2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 460.60 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 30292566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).