2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide

C21H26N2O4S2 — CID 34072393

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
SMILESCCOc1ccc(NC(=O)CSc2ccc3c(c2)CCC3)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H26N2O4S2/c1-4-27-19-11-9-17(13-20(19)29(25,26)23(2)3)22-21(24)14-28-18-10-8-15-6-5-7-16(15)12-18/h8-13H,4-7,14H2,1-3H3,(H,22,24)
InChIKeyHBYINCAFZSPCDX-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.56
Rot. Bonds8

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide (PubChem CID 34072393) has the molecular formula C21H26N2O4S2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
PubChem CID34072393
Molecular FormulaC21H26N2O4S2
Molecular Weight434.58 g/mol
Exact Mass434.13
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
SMILESCCOc1ccc(NC(=O)CSc2ccc3c(c2)CCC3)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H26N2O4S2/c1-4-27-19-11-9-17(13-20(19)29(25,26)23(2)3)22-21(24)14-28-18-10-8-15-6-5-7-16(15)12-18/h8-13H,4-7,14H2,1-3H3,(H,22,24)
InChIKeyHBYINCAFZSPCDX-UHFFFAOYSA-N
XLogP3.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 9470177
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9470148
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 9106631
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride
CID 119693192
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,3-diphenylpropanamide
CID 27831173
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 31743631
4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119273244
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide
CID 51121209
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide
CID 26644664
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 46420851

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide (CID 34072393) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide is CCOc1ccc(NC(=O)CSc2ccc3c(c2)CCC3)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide?
The InChIKey is HBYINCAFZSPCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S2/c1-4-27-19-11-9-17(13-20(19)29(25,26)23(2)3)22-21(24)14-28-18-10-8-15-6-5-7-16(15)12-18/h8-13H,4-7,14H2,1-3H3,(H,22,24).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide has a molecular weight of 434.58 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide is sourced from PubChem (CID 34072393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).