N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-2-sulfonamide

C17H20N2O2S2 — CID 141057828

IUPACN-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-2-sulfonamide
SMILESC=C(C)CN(c1ccc2c(c1)CCC2)S(=O)(=O)c1nc(C)cs1
InChIInChI=1S/C17H20N2O2S2/c1-12(2)10-19(23(20,21)17-18-13(3)11-22-17)16-8-7-14-5-4-6-15(14)9-16/h7-9,11H,1,4-6,10H2,2-3H3
InChIKeyPVGJHTSXCSXRQB-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.71
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-2-sulfonamide

N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-2-sulfonamide (PubChem CID 141057828) has the molecular formula C17H20N2O2S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-2-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-2-sulfonamide
PubChem CID141057828
Molecular FormulaC17H20N2O2S2
Molecular Weight348.49 g/mol
Exact Mass348.10
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-2-sulfonamide
SMILESC=C(C)CN(c1ccc2c(c1)CCC2)S(=O)(=O)c1nc(C)cs1
InChIInChI=1S/C17H20N2O2S2/c1-12(2)10-19(23(20,21)17-18-13(3)11-22-17)16-8-7-14-5-4-6-15(14)9-16/h7-9,11H,1,4-6,10H2,2-3H3
InChIKeyPVGJHTSXCSXRQB-UHFFFAOYSA-N
XLogP3.71
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-2-sulfonamide
CID 141057830
N-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide
CID 141217723
4-[[6-[(2-hydroxy-2-methylpropyl)-[(4-methyl-1,3-thiazol-2-yl)sulfonyl]amino]-2,3-dihydro-1H-inden-5-yl]oxymethyl]benzoic acid
CID 23106387
4-[[6-[(4-methyl-1,3-thiazol-2-yl)sulfonyl-(oxetan-2-ylmethyl)amino]-2,3-dihydro-1H-inden-5-yl]oxymethyl]benzoic acid
CID 24772126
4-[[6-[(1-methylpyrazol-4-yl)methyl-[(4-methyl-1,3-thiazol-2-yl)sulfonyl]amino]-2,3-dihydro-1H-inden-5-yl]oxymethyl]benzoic acid
CID 24772253
5-[[6-[2-fluoropropyl-[(4-methyl-1,3-thiazol-2-yl)sulfonyl]amino]-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyrazine-2-carboxylic acid
CID 58398526
N-[(2S)-2-fluoropropyl]-N-[6-[(6-formylpyridazin-3-yl)methoxy]-2,3-dihydro-1H-inden-5-yl]-4-methyl-1,3-thiazole-2-sulfonamide
CID 88911048
methyl 3-methyl-4-[[6-[(3-methyloxetan-3-yl)methyl-[(4-methyl-1,3-thiazol-2-yl)sulfonyl]amino]-2,3-dihydro-1H-inden-5-yl]oxymethyl]benzoate
CID 143493109
(E)-3-[4-[[2-[2-methylprop-2-enyl-[(4-methyl-1,3-thiazol-2-yl)sulfonyl]amino]-5-(trifluoromethyl)phenoxy]methyl]phenyl]prop-2-enoic acid
CID 23106434
(E)-3-[4-[[6-[(3-methyloxetan-3-yl)methyl-[(4-methyl-1,3-thiazol-2-yl)sulfonyl]amino]-2,3-dihydro-1H-inden-5-yl]oxymethyl]phenyl]prop-2-enoic acid
CID 143493108
N-(4-iodophenyl)-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 100935731
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 55360254

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-2-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-2-sulfonamide (CID 141057828) is N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-2-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-2-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-2-sulfonamide is C=C(C)CN(c1ccc2c(c1)CCC2)S(=O)(=O)c1nc(C)cs1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-2-sulfonamide?
The InChIKey is PVGJHTSXCSXRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S2/c1-12(2)10-19(23(20,21)17-18-13(3)11-22-17)16-8-7-14-5-4-6-15(14)9-16/h7-9,11H,1,4-6,10H2,2-3H3.
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-2-sulfonamide?
N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-2-sulfonamide has a molecular weight of 348.49 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 141057828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).