N-(2,3-dihydroindol-1-ylsulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

C16H19N3O4S — CID 56801987

IUPACN-(2,3-dihydroindol-1-ylsulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCc1noc(C)c1CCC(=O)NS(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C16H19N3O4S/c1-11-14(12(2)23-17-11)7-8-16(20)18-24(21,22)19-10-9-13-5-3-4-6-15(13)19/h3-6H,7-10H2,1-2H3,(H,18,20)
InChIKeyYYZOCQVUPSVNMG-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.65
Rot. Bonds5

About N-(2,3-dihydroindol-1-ylsulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

N-(2,3-dihydroindol-1-ylsulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (PubChem CID 56801987) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(2,3-dihydroindol-1-ylsulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydroindol-1-ylsulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
PubChem CID56801987
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-(2,3-dihydroindol-1-ylsulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCc1noc(C)c1CCC(=O)NS(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C16H19N3O4S/c1-11-14(12(2)23-17-11)7-8-16(20)18-24(21,22)19-10-9-13-5-3-4-6-15(13)19/h3-6H,7-10H2,1-2H3,(H,18,20)
InChIKeyYYZOCQVUPSVNMG-UHFFFAOYSA-N
XLogP1.65
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 38749303
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2122325
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 75462254
3-[3-(2,3-dihydroindol-1-yl)propyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 51084468
N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyrazol-1-ylpropanamide
CID 71878691
N-[[(3S)-3,4-dihydro-1H-isochromen-3-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 100750901
2,3-dihydroindol-1-yl-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-pyridinyl]methanone
CID 133347562
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 129366981
2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]acetohydrazide
CID 8614287
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 35371590
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 3955976
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide
CID 110615311

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroindol-1-ylsulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The IUPAC name of N-(2,3-dihydroindol-1-ylsulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (CID 56801987) is N-(2,3-dihydroindol-1-ylsulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.
What is the SMILES notation for N-(2,3-dihydroindol-1-ylsulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The canonical SMILES for N-(2,3-dihydroindol-1-ylsulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is Cc1noc(C)c1CCC(=O)NS(=O)(=O)N1CCc2ccccc21.
What is the InChIKey of N-(2,3-dihydroindol-1-ylsulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The InChIKey is YYZOCQVUPSVNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-11-14(12(2)23-17-11)7-8-16(20)18-24(21,22)19-10-9-13-5-3-4-6-15(13)19/h3-6H,7-10H2,1-2H3,(H,18,20).
What are the key properties of N-(2,3-dihydroindol-1-ylsulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
N-(2,3-dihydroindol-1-ylsulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide has a molecular weight of 349.41 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroindol-1-ylsulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 56801987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).