N,2-dimethyl-3-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide

C17H27N3O6S — CID 67309679

IUPACN,2-dimethyl-3-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide
SMILESCNC(=O)C(C)Cc1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1
InChIInChI=1S/C17H27N3O6S/c1-11(15(21)18-4)9-12-10-14(26-20-12)19-16(22)17(2,3)27(23,24)13-5-7-25-8-6-13/h10-11,13H,5-9H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyNAJHXFYNNCUPNP-UHFFFAOYSA-N
MW401.49 g/mol
LogP0.91
Rot. Bonds7

About N,2-dimethyl-3-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide

N,2-dimethyl-3-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide (PubChem CID 67309679) has the molecular formula C17H27N3O6S and a molecular weight of 401.49 g/mol. Its IUPAC name is N,2-dimethyl-3-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-3-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide
PubChem CID67309679
Molecular FormulaC17H27N3O6S
Molecular Weight401.49 g/mol
Exact Mass401.16
IUPAC NameN,2-dimethyl-3-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide
SMILESCNC(=O)C(C)Cc1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1
InChIInChI=1S/C17H27N3O6S/c1-11(15(21)18-4)9-12-10-14(26-20-12)19-16(22)17(2,3)27(23,24)13-5-7-25-8-6-13/h10-11,13H,5-9H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyNAJHXFYNNCUPNP-UHFFFAOYSA-N
XLogP0.91
TPSA127.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide?
The IUPAC name of N,2-dimethyl-3-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide (CID 67309679) is N,2-dimethyl-3-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide.
What is the SMILES notation for N,2-dimethyl-3-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide?
The canonical SMILES for N,2-dimethyl-3-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide is CNC(=O)C(C)Cc1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1.
What is the InChIKey of N,2-dimethyl-3-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide?
The InChIKey is NAJHXFYNNCUPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O6S/c1-11(15(21)18-4)9-12-10-14(26-20-12)19-16(22)17(2,3)27(23,24)13-5-7-25-8-6-13/h10-11,13H,5-9H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of N,2-dimethyl-3-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide?
N,2-dimethyl-3-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide has a molecular weight of 401.49 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide is sourced from PubChem (CID 67309679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).