2-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide

C25H23N3O4S — CID 30559286

IUPAC2-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide
SMILESCc1ccccc1CS(=O)(=O)c1cn(CC(=O)Nc2ccccc2C(N)=O)c2ccccc12
InChIInChI=1S/C25H23N3O4S/c1-17-8-2-3-9-18(17)16-33(31,32)23-14-28(22-13-7-5-11-20(22)23)15-24(29)27-21-12-6-4-10-19(21)25(26)30/h2-14H,15-16H2,1H3,(H2,26,30)(H,27,29)
InChIKeyVHDNHLNBJWSZQN-UHFFFAOYSA-N
MW461.54 g/mol
LogP3.66
Rot. Bonds7

About 2-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide

2-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide (PubChem CID 30559286) has the molecular formula C25H23N3O4S and a molecular weight of 461.54 g/mol. Its IUPAC name is 2-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide
PubChem CID30559286
Molecular FormulaC25H23N3O4S
Molecular Weight461.54 g/mol
Exact Mass461.14
IUPAC Name2-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide
SMILESCc1ccccc1CS(=O)(=O)c1cn(CC(=O)Nc2ccccc2C(N)=O)c2ccccc12
InChIInChI=1S/C25H23N3O4S/c1-17-8-2-3-9-18(17)16-33(31,32)23-14-28(22-13-7-5-11-20(22)23)15-24(29)27-21-12-6-4-10-19(21)25(26)30/h2-14H,15-16H2,1H3,(H2,26,30)(H,27,29)
InChIKeyVHDNHLNBJWSZQN-UHFFFAOYSA-N
XLogP3.66
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide
CID 30561207
methyl 2-[[2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzoate
CID 20911257
methyl 4-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzoate
CID 30559177
N-(3,4-difluorophenyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559201
N-(2-chlorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292664
N-[(4-fluorophenyl)methyl]-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559089
N-(5-chloro-2-methylphenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292716
2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
CID 30292624
N-(2-methylcyclohexyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 43958367
N-(4-chloro-2-fluorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292735
2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 30559058
N-(2,4-difluorophenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911185

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide?
The IUPAC name of 2-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide (CID 30559286) is 2-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide is Cc1ccccc1CS(=O)(=O)c1cn(CC(=O)Nc2ccccc2C(N)=O)c2ccccc12.
What is the InChIKey of 2-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide?
The InChIKey is VHDNHLNBJWSZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4S/c1-17-8-2-3-9-18(17)16-33(31,32)23-14-28(22-13-7-5-11-20(22)23)15-24(29)27-21-12-6-4-10-19(21)25(26)30/h2-14H,15-16H2,1H3,(H2,26,30)(H,27,29).
What are the key properties of 2-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide?
2-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide has a molecular weight of 461.54 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 30559286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).