N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide

C21H22N2O2S2 — CID 47093261

IUPACN-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCc1ccc(-c2nc(CCNS(=O)(=O)c3ccc4c(c3)CCC4)cs2)cc1
InChIInChI=1S/C21H22N2O2S2/c1-15-5-7-17(8-6-15)21-23-19(14-26-21)11-12-22-27(24,25)20-10-9-16-3-2-4-18(16)13-20/h5-10,13-14,22H,2-4,11-12H2,1H3
InChIKeyXYRZKHGEWIZMMK-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.13
Rot. Bonds6

About N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 47093261) has the molecular formula C21H22N2O2S2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID47093261
Molecular FormulaC21H22N2O2S2
Molecular Weight398.55 g/mol
Exact Mass398.11
IUPAC NameN-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCc1ccc(-c2nc(CCNS(=O)(=O)c3ccc4c(c3)CCC4)cs2)cc1
InChIInChI=1S/C21H22N2O2S2/c1-15-5-7-17(8-6-15)21-23-19(14-26-21)11-12-22-27(24,25)20-10-9-16-3-2-4-18(16)13-20/h5-10,13-14,22H,2-4,11-12H2,1H3
InChIKeyXYRZKHGEWIZMMK-UHFFFAOYSA-N
XLogP4.13
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide
CID 51106179
N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110395413
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]naphthalene-2-sulfonamide
CID 16805893
2-[2-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 146128015
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dimethylbenzenesulfonamide
CID 7518601
3-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzenesulfonamide
CID 7522047
4-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110397943
3,5-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1H-pyrazole-4-sulfonamide
CID 110317368
4-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 2386160
N-[2-(1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110722088
3-chloro-4-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 38997085
2-methoxy-5-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 110285072

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 47093261) is N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide is Cc1ccc(-c2nc(CCNS(=O)(=O)c3ccc4c(c3)CCC4)cs2)cc1.
What is the InChIKey of N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is XYRZKHGEWIZMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S2/c1-15-5-7-17(8-6-15)21-23-19(14-26-21)11-12-22-27(24,25)20-10-9-16-3-2-4-18(16)13-20/h5-10,13-14,22H,2-4,11-12H2,1H3.
What are the key properties of N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 398.55 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 47093261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).