N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide

C14H23N3O5S — CID 113053499

IUPACN-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1c(C)noc1C)CC1CCCO1
InChIInChI=1S/C14H23N3O5S/c1-10-14(11(2)22-16-10)23(19,20)15-6-7-17(12(3)18)9-13-5-4-8-21-13/h13,15H,4-9H2,1-3H3
InChIKeyWNZHAIUFDBNBQE-UHFFFAOYSA-N
MW345.42 g/mol
LogP0.60
Rot. Bonds7

About N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide

N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 113053499) has the molecular formula C14H23N3O5S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID113053499
Molecular FormulaC14H23N3O5S
Molecular Weight345.42 g/mol
Exact Mass345.14
IUPAC NameN-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1c(C)noc1C)CC1CCCO1
InChIInChI=1S/C14H23N3O5S/c1-10-14(11(2)22-16-10)23(19,20)15-6-7-17(12(3)18)9-13-5-4-8-21-13/h13,15H,4-9H2,1-3H3
InChIKeyWNZHAIUFDBNBQE-UHFFFAOYSA-N
XLogP0.60
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113053462
N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113053469
N-tert-butyl-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113056671
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-propan-2-ylacetamide
CID 113052089
methyl N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]carbamate
CID 113053446
N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-4-bromobenzamide
CID 113053401
3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide
CID 64994317
N-(2,6-diethylphenyl)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113058928
3,5-dimethyl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,2-oxazole-4-sulfonamide
CID 51946575
N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-4-tert-butylbenzamide
CID 113053410
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(3-methylphenyl)acetamide
CID 113057520
3,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 94192827

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide (CID 113053499) is N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide is CC(=O)N(CCNS(=O)(=O)c1c(C)noc1C)CC1CCCO1.
What is the InChIKey of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is WNZHAIUFDBNBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O5S/c1-10-14(11(2)22-16-10)23(19,20)15-6-7-17(12(3)18)9-13-5-4-8-21-13/h13,15H,4-9H2,1-3H3.
What are the key properties of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide?
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 345.42 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 113053499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).