N-(2,3-dihydro-1H-inden-5-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide

C17H21N3O4S — CID 9369647

IUPACN-(2,3-dihydro-1H-inden-5-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
SMILESCc1noc(C)c1S(=O)(=O)NCCC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C17H21N3O4S/c1-11-17(12(2)24-20-11)25(22,23)18-9-8-16(21)19-15-7-6-13-4-3-5-14(13)10-15/h6-7,10,18H,3-5,8-9H2,1-2H3,(H,19,21)
InChIKeyOIOLGWNFBWHIDI-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.09
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-5-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide

N-(2,3-dihydro-1H-inden-5-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide (PubChem CID 9369647) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
PubChem CID9369647
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
SMILESCc1noc(C)c1S(=O)(=O)NCCC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C17H21N3O4S/c1-11-17(12(2)24-20-11)25(22,23)18-9-8-16(21)19-15-7-6-13-4-3-5-14(13)10-15/h6-7,10,18H,3-5,8-9H2,1-2H3,(H,19,21)
InChIKeyOIOLGWNFBWHIDI-UHFFFAOYSA-N
XLogP2.09
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9042128
N-(3-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 9042417
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110370456
N-(5-chloro-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 29355283
N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 86997801
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CID 9495362
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CID 9426987
N-(1,3-benzodioxol-5-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide
CID 110295806
N-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide
CID 47160249
N-(3-chloro-2-fluorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 9146922
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate
CID 8614434
N-(3-acetylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide (CID 9369647) is N-(2,3-dihydro-1H-inden-5-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide is Cc1noc(C)c1S(=O)(=O)NCCC(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide?
The InChIKey is OIOLGWNFBWHIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-11-17(12(2)24-20-11)25(22,23)18-9-8-16(21)19-15-7-6-13-4-3-5-14(13)10-15/h6-7,10,18H,3-5,8-9H2,1-2H3,(H,19,21).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide?
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide has a molecular weight of 363.44 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide is sourced from PubChem (CID 9369647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).