2-(3-benzylsulfonylindol-1-yl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide

C26H26N2O3S — CID 54589374

IUPAC2-(3-benzylsulfonylindol-1-yl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CN(C)C(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)c1
InChIInChI=1S/C26H26N2O3S/c1-20-9-8-12-22(15-20)16-27(2)26(29)18-28-17-25(23-13-6-7-14-24(23)28)32(30,31)19-21-10-4-3-5-11-21/h3-15,17H,16,18-19H2,1-2H3
InChIKeyFGMVVKROZFDCMH-UHFFFAOYSA-N
MW446.57 g/mol
LogP4.58
Rot. Bonds7

About 2-(3-benzylsulfonylindol-1-yl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide

2-(3-benzylsulfonylindol-1-yl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 54589374) has the molecular formula C26H26N2O3S and a molecular weight of 446.57 g/mol. Its IUPAC name is 2-(3-benzylsulfonylindol-1-yl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-benzylsulfonylindol-1-yl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide
PubChem CID54589374
Molecular FormulaC26H26N2O3S
Molecular Weight446.57 g/mol
Exact Mass446.17
IUPAC Name2-(3-benzylsulfonylindol-1-yl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CN(C)C(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)c1
InChIInChI=1S/C26H26N2O3S/c1-20-9-8-12-22(15-20)16-27(2)26(29)18-28-17-25(23-13-6-7-14-24(23)28)32(30,31)19-21-10-4-3-5-11-21/h3-15,17H,16,18-19H2,1-2H3
InChIKeyFGMVVKROZFDCMH-UHFFFAOYSA-N
XLogP4.58
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide
CID 70169296
2-[3-(benzenesulfonyl)indol-1-yl]-N-benzyl-N-methylacetamide
CID 16935296
N,N-dibenzyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560042
N-(3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911133
2-(3-benzylsulfonylindol-1-yl)-N-butyl-N-ethylacetamide
CID 30558551
N-butyl-2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide
CID 30560884
2-(3-benzylsulfonylindol-1-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 30558854
N-(2-methoxyphenyl)-2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292518
N-ethyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
CID 30292283
2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-ethyl-N-phenylacetamide
CID 20911211
2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 30291970
2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 30292566

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylsulfonylindol-1-yl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(3-benzylsulfonylindol-1-yl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide (CID 54589374) is 2-(3-benzylsulfonylindol-1-yl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-benzylsulfonylindol-1-yl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-benzylsulfonylindol-1-yl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CN(C)C(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)c1.
What is the InChIKey of 2-(3-benzylsulfonylindol-1-yl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is FGMVVKROZFDCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3S/c1-20-9-8-12-22(15-20)16-27(2)26(29)18-28-17-25(23-13-6-7-14-24(23)28)32(30,31)19-21-10-4-3-5-11-21/h3-15,17H,16,18-19H2,1-2H3.
What are the key properties of 2-(3-benzylsulfonylindol-1-yl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide?
2-(3-benzylsulfonylindol-1-yl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 446.57 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylsulfonylindol-1-yl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 54589374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).