2-(2,3-dihydro-1H-inden-1-yl)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide

C22H23N3O3S2 — CID 86955534

IUPAC2-(2,3-dihydro-1H-inden-1-yl)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)CC3CCc4ccccc43)n2)cc1
InChIInChI=1S/C22H23N3O3S2/c1-25(2)30(27,28)18-11-9-16(10-12-18)20-14-29-22(23-20)24-21(26)13-17-8-7-15-5-3-4-6-19(15)17/h3-6,9-12,14,17H,7-8,13H2,1-2H3,(H,23,24,26)
InChIKeyXYBBPBGYSSZMSC-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.12
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-1-yl)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide

2-(2,3-dihydro-1H-inden-1-yl)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 86955534) has the molecular formula C22H23N3O3S2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID86955534
Molecular FormulaC22H23N3O3S2
Molecular Weight441.58 g/mol
Exact Mass441.12
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)CC3CCc4ccccc43)n2)cc1
InChIInChI=1S/C22H23N3O3S2/c1-25(2)30(27,28)18-11-9-16(10-12-18)20-14-29-22(23-20)24-21(26)13-17-8-7-15-5-3-4-6-19(15)17/h3-6,9-12,14,17H,7-8,13H2,1-2H3,(H,23,24,26)
InChIKeyXYBBPBGYSSZMSC-UHFFFAOYSA-N
XLogP4.12
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 70680665
2-(2-chlorophenyl)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 55661964
2,2-dichloro-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 78868548
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 17012865
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 34314459
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenyl)acetamide
CID 55661935
N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 70680664
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 55763498
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
CID 38904419
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22200140
N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 9246518
N,N-dimethyl-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 17405572

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide (CID 86955534) is 2-(2,3-dihydro-1H-inden-1-yl)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide is CN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)CC3CCc4ccccc43)n2)cc1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XYBBPBGYSSZMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S2/c1-25(2)30(27,28)18-11-9-16(10-12-18)20-14-29-22(23-20)24-21(26)13-17-8-7-15-5-3-4-6-19(15)17/h3-6,9-12,14,17H,7-8,13H2,1-2H3,(H,23,24,26).
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide?
2-(2,3-dihydro-1H-inden-1-yl)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 441.58 g/mol, XLogP of 4.12, 6 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-1-yl)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 86955534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).