N-[(1R)-6-[2-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]acetamide

C17H21N3O3S2 — CID 95806337

IUPACN-[(1R)-6-[2-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCC(=O)N[C@@H]1CCc2ccc(S(=O)(=O)NCCc3ncc(C)s3)cc21
InChIInChI=1S/C17H21N3O3S2/c1-11-10-18-17(24-11)7-8-19-25(22,23)14-5-3-13-4-6-16(15(13)9-14)20-12(2)21/h3,5,9-10,16,19H,4,6-8H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyJXJIUXJSGIOQQT-MRXNPFEDSA-N
MW379.51 g/mol
LogP2.10
Rot. Bonds6

About N-[(1R)-6-[2-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]acetamide

N-[(1R)-6-[2-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 95806337) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[(1R)-6-[2-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-6-[2-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID95806337
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC NameN-[(1R)-6-[2-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCC(=O)N[C@@H]1CCc2ccc(S(=O)(=O)NCCc3ncc(C)s3)cc21
InChIInChI=1S/C17H21N3O3S2/c1-11-10-18-17(24-11)7-8-19-25(22,23)14-5-3-13-4-6-16(15(13)9-14)20-12(2)21/h3,5,9-10,16,19H,4,6-8H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyJXJIUXJSGIOQQT-MRXNPFEDSA-N
XLogP2.10
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110739430
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CID 95806362
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110739068
N-[(1S)-6-[3-(1H-pyrazol-4-yl)propylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide
CID 95806366
N-(6-amino-2,3-dihydro-1H-inden-1-yl)acetamide
CID 18627846
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanesulfonamide
CID 110739374
N-[(1S)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-(2-methylimidazol-1-yl)propanamide
CID 92634771
N-(2,3-dihydro-1H-inden-1-yl)-2-methyl-5-(3-methylbutylsulfamoyl)benzamide
CID 20649322
N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 17193287
2-[2-(dimethylsulfamoylamino)ethyl]-5-methyl-1,3-thiazole
CID 110739376
2-(5-methyl-1,3-thiazol-2-yl)ethylurea
CID 130652199
1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3H-indole-5-sulfonamide
CID 110739056

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-6-[2-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of N-[(1R)-6-[2-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]acetamide (CID 95806337) is N-[(1R)-6-[2-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-6-[2-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for N-[(1R)-6-[2-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]acetamide is CC(=O)N[C@@H]1CCc2ccc(S(=O)(=O)NCCc3ncc(C)s3)cc21.
What is the InChIKey of N-[(1R)-6-[2-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is JXJIUXJSGIOQQT-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-11-10-18-17(24-11)7-8-19-25(22,23)14-5-3-13-4-6-16(15(13)9-14)20-12(2)21/h3,5,9-10,16,19H,4,6-8H2,1-2H3,(H,20,21)/t16-/m1/s1.
What are the key properties of N-[(1R)-6-[2-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]acetamide?
N-[(1R)-6-[2-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 379.51 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-6-[2-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 95806337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).