N-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)-5-methylbenzamide

C19H22N2O3S — CID 123469901

IUPACN-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)-5-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)CCC3)cc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H22N2O3S/c1-13-9-16(12-18(10-13)25(23,24)21(2)3)19(22)20-17-8-7-14-5-4-6-15(14)11-17/h7-12H,4-6H2,1-3H3,(H,20,22)
InChIKeyGQAHGWKWLRGGOI-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.99
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)-5-methylbenzamide

N-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)-5-methylbenzamide (PubChem CID 123469901) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)-5-methylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)-5-methylbenzamide
PubChem CID123469901
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)-5-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)CCC3)cc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H22N2O3S/c1-13-9-16(12-18(10-13)25(23,24)21(2)3)19(22)20-17-8-7-14-5-4-6-15(14)11-17/h7-12H,4-6H2,1-3H3,(H,20,22)
InChIKeyGQAHGWKWLRGGOI-UHFFFAOYSA-N
XLogP2.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011603
4-methylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 141069790
3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 107980005
4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide
CID 63187596
3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-iodobenzamide
CID 103220953
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9470148
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3,5-dimethylbenzamide
CID 27832740
N-(2,3-dihydro-1H-inden-5-yl)-4-(methoxymethyl)benzamide
CID 42466710
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011474
3-(dimethylsulfamoyl)-N-(9H-fluoren-3-yl)benzamide
CID 8699331
4-tert-butyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)benzamide
CID 140896281
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 94487619

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)-5-methylbenzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)-5-methylbenzamide (CID 123469901) is N-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)-5-methylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)-5-methylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)-5-methylbenzamide is Cc1cc(C(=O)Nc2ccc3c(c2)CCC3)cc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)-5-methylbenzamide?
The InChIKey is GQAHGWKWLRGGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13-9-16(12-18(10-13)25(23,24)21(2)3)19(22)20-17-8-7-14-5-4-6-15(14)11-17/h7-12H,4-6H2,1-3H3,(H,20,22).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)-5-methylbenzamide?
N-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)-5-methylbenzamide has a molecular weight of 358.46 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)-5-methylbenzamide is sourced from PubChem (CID 123469901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).