N-(5-chloro-2-methylphenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide

C26H25ClN2O3S — CID 30292716

IUPACN-(5-chloro-2-methylphenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESCc1ccc(C)c(CS(=O)(=O)c2cn(CC(=O)Nc3cc(Cl)ccc3C)c3ccccc23)c1
InChIInChI=1S/C26H25ClN2O3S/c1-17-8-9-18(2)20(12-17)16-33(31,32)25-14-29(24-7-5-4-6-22(24)25)15-26(30)28-23-13-21(27)11-10-19(23)3/h4-14H,15-16H2,1-3H3,(H,28,30)
InChIKeyQBDOSBKIUBNNHU-UHFFFAOYSA-N
MW481.02 g/mol
LogP5.83
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide

N-(5-chloro-2-methylphenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide (PubChem CID 30292716) has the molecular formula C26H25ClN2O3S and a molecular weight of 481.02 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
PubChem CID30292716
Molecular FormulaC26H25ClN2O3S
Molecular Weight481.02 g/mol
Exact Mass480.13
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESCc1ccc(C)c(CS(=O)(=O)c2cn(CC(=O)Nc3cc(Cl)ccc3C)c3ccccc23)c1
InChIInChI=1S/C26H25ClN2O3S/c1-17-8-9-18(2)20(12-17)16-33(31,32)25-14-29(24-7-5-4-6-22(24)25)15-26(30)28-23-13-21(27)11-10-19(23)3/h4-14H,15-16H2,1-3H3,(H,28,30)
InChIKeyQBDOSBKIUBNNHU-UHFFFAOYSA-N
XLogP5.83
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.02
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292735
N-(2-chlorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292664
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 30292063
2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
CID 30292624
N-(5-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935677
N-(2,5-dimethylphenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292470
N-(2-chloro-4-methylphenyl)-2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292117
N-(4-chloro-2-fluorophenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292105
2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 30291970
N-(3,4-difluorophenyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559201
2-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide
CID 30559286
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292673

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide (CID 30292716) is N-(5-chloro-2-methylphenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide is Cc1ccc(C)c(CS(=O)(=O)c2cn(CC(=O)Nc3cc(Cl)ccc3C)c3ccccc23)c1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide?
The InChIKey is QBDOSBKIUBNNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O3S/c1-17-8-9-18(2)20(12-17)16-33(31,32)25-14-29(24-7-5-4-6-22(24)25)15-26(30)28-23-13-21(27)11-10-19(23)3/h4-14H,15-16H2,1-3H3,(H,28,30).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide?
N-(5-chloro-2-methylphenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide has a molecular weight of 481.02 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide is sourced from PubChem (CID 30292716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).