N-(2,3-dimethylphenyl)-2-(1H-indol-3-ylsulfonyl)acetamide

C18H18N2O3S — CID 751478

IUPACN-(2,3-dimethylphenyl)-2-(1H-indol-3-ylsulfonyl)acetamide
SMILESCc1cccc(NC(=O)CS(=O)(=O)c2c[nH]c3ccccc23)c1C
InChIInChI=1S/C18H18N2O3S/c1-12-6-5-9-15(13(12)2)20-18(21)11-24(22,23)17-10-19-16-8-4-3-7-14(16)17/h3-10,19H,11H2,1-2H3,(H,20,21)
InChIKeyUNLGFTXBRQNTCY-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.20
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-(1H-indol-3-ylsulfonyl)acetamide

N-(2,3-dimethylphenyl)-2-(1H-indol-3-ylsulfonyl)acetamide (PubChem CID 751478) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(1H-indol-3-ylsulfonyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(1H-indol-3-ylsulfonyl)acetamide
PubChem CID751478
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(2,3-dimethylphenyl)-2-(1H-indol-3-ylsulfonyl)acetamide
SMILESCc1cccc(NC(=O)CS(=O)(=O)c2c[nH]c3ccccc23)c1C
InChIInChI=1S/C18H18N2O3S/c1-12-6-5-9-15(13(12)2)20-18(21)11-24(22,23)17-10-19-16-8-4-3-7-14(16)17/h3-10,19H,11H2,1-2H3,(H,20,21)
InChIKeyUNLGFTXBRQNTCY-UHFFFAOYSA-N
XLogP3.20
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 8554460
N-(2,3-dimethylphenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 3892636
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7169511
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2,3-dimethylphenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439313
N-(2,3-dimethylphenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 135763691
N-(2,3-dimethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228165
N-(2,3-dimethylphenyl)-2-[4-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]piperazine-1,4-diium-1-yl]acetamide
CID 8694594
N-(2,3-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide
CID 109261301
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
3-methylsulfonyl-1H-indole
CID 86767790
N-(2,3-dimethylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771325

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(1H-indol-3-ylsulfonyl)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(1H-indol-3-ylsulfonyl)acetamide (CID 751478) is N-(2,3-dimethylphenyl)-2-(1H-indol-3-ylsulfonyl)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(1H-indol-3-ylsulfonyl)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(1H-indol-3-ylsulfonyl)acetamide is Cc1cccc(NC(=O)CS(=O)(=O)c2c[nH]c3ccccc23)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(1H-indol-3-ylsulfonyl)acetamide?
The InChIKey is UNLGFTXBRQNTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-12-6-5-9-15(13(12)2)20-18(21)11-24(22,23)17-10-19-16-8-4-3-7-14(16)17/h3-10,19H,11H2,1-2H3,(H,20,21).
What are the key properties of N-(2,3-dimethylphenyl)-2-(1H-indol-3-ylsulfonyl)acetamide?
N-(2,3-dimethylphenyl)-2-(1H-indol-3-ylsulfonyl)acetamide has a molecular weight of 342.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(1H-indol-3-ylsulfonyl)acetamide is sourced from PubChem (CID 751478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).