N-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide

C17H20N2O5S — CID 47035218

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide
SMILESCc1cc(CS(=O)(=O)C(C)C(=O)NC2CCOc3ccccc32)no1
InChIInChI=1S/C17H20N2O5S/c1-11-9-13(19-24-11)10-25(21,22)12(2)17(20)18-15-7-8-23-16-6-4-3-5-14(15)16/h3-6,9,12,15H,7-8,10H2,1-2H3,(H,18,20)
InChIKeyYRAXZPZQRPEBAP-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.93
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide

N-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide (PubChem CID 47035218) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide
PubChem CID47035218
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide
SMILESCc1cc(CS(=O)(=O)C(C)C(=O)NC2CCOc3ccccc32)no1
InChIInChI=1S/C17H20N2O5S/c1-11-9-13(19-24-11)10-25(21,22)12(2)17(20)18-15-7-8-23-16-6-4-3-5-14(15)16/h3-6,9,12,15H,7-8,10H2,1-2H3,(H,18,20)
InChIKeyYRAXZPZQRPEBAP-UHFFFAOYSA-N
XLogP1.93
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide
CID 94025535
N-(3,4-dihydro-2H-chromen-4-yl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 51083914
N-(3,4-dihydro-2H-chromen-4-yl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 46524067
(2S)-2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300423
(2S)-2-bromo-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300419
2-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 43244721
2-acetamido-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 18115199
2-(azetidin-3-yl)-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 116675622
(2S)-N-[(4R)-6-bromo-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide
CID 94488724
N-(3,4-dihydro-2H-chromen-4-yl)-2-pyrazol-1-ylpropanamide
CID 47156481
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 94025583
2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid
CID 55063461

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide (CID 47035218) is N-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide is Cc1cc(CS(=O)(=O)C(C)C(=O)NC2CCOc3ccccc32)no1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide?
The InChIKey is YRAXZPZQRPEBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-11-9-13(19-24-11)10-25(21,22)12(2)17(20)18-15-7-8-23-16-6-4-3-5-14(15)16/h3-6,9,12,15H,7-8,10H2,1-2H3,(H,18,20).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide has a molecular weight of 364.42 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide is sourced from PubChem (CID 47035218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).