2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide

C25H23ClN2O3S — CID 30292020

IUPAC2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccc(Cl)cc3)c3ccccc32)cc1
InChIInChI=1S/C25H23ClN2O3S/c1-2-18-9-13-21(14-10-18)27-25(29)16-28-15-24(22-5-3-4-6-23(22)28)32(30,31)17-19-7-11-20(26)12-8-19/h3-15H,2,16-17H2,1H3,(H,27,29)
InChIKeyRXCHSXTYQNRDQC-UHFFFAOYSA-N
MW466.99 g/mol
LogP5.47
Rot. Bonds7

About 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide

2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide (PubChem CID 30292020) has the molecular formula C25H23ClN2O3S and a molecular weight of 466.99 g/mol. Its IUPAC name is 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide
PubChem CID30292020
Molecular FormulaC25H23ClN2O3S
Molecular Weight466.99 g/mol
Exact Mass466.11
IUPAC Name2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccc(Cl)cc3)c3ccccc32)cc1
InChIInChI=1S/C25H23ClN2O3S/c1-2-18-9-13-21(14-10-18)27-25(29)16-28-15-24(22-5-3-4-6-23(22)28)32(30,31)17-19-7-11-20(26)12-8-19/h3-15H,2,16-17H2,1H3,(H,27,29)
InChIKeyRXCHSXTYQNRDQC-UHFFFAOYSA-N
XLogP5.47
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.99
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-anilinophenyl)-2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 43958485
2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide
CID 20911248
N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292273
2-[[2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide
CID 30561207
2-(3-benzylsulfonylindol-1-yl)-N-(3,4-dichlorophenyl)acetamide
CID 30558816
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 30292063
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30292022
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
N-(4-acetylphenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292492
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 30559584
2-(3-benzylsulfonylindol-1-yl)-N-pyridin-4-ylacetamide
CID 30558852

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide (CID 30292020) is 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccc(Cl)cc3)c3ccccc32)cc1.
What is the InChIKey of 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide?
The InChIKey is RXCHSXTYQNRDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O3S/c1-2-18-9-13-21(14-10-18)27-25(29)16-28-15-24(22-5-3-4-6-23(22)28)32(30,31)17-19-7-11-20(26)12-8-19/h3-15H,2,16-17H2,1H3,(H,27,29).
What are the key properties of 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide?
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide has a molecular weight of 466.99 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 30292020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).