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

C16H21N3O4S — CID 113057520

IUPACN-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(3-methylphenyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1c(C)noc1C)c1cccc(C)c1
InChIInChI=1S/C16H21N3O4S/c1-11-6-5-7-15(10-11)19(14(4)20)9-8-17-24(21,22)16-12(2)18-23-13(16)3/h5-7,10,17H,8-9H2,1-4H3
InChIKeyDLAOZOFWCCWHPQ-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.93
Rot. Bonds6

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

N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(3-methylphenyl)acetamide (PubChem CID 113057520) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(3-methylphenyl)acetamide
PubChem CID113057520
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC NameN-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(3-methylphenyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1c(C)noc1C)c1cccc(C)c1
InChIInChI=1S/C16H21N3O4S/c1-11-6-5-7-15(10-11)19(14(4)20)9-8-17-24(21,22)16-12(2)18-23-13(16)3/h5-7,10,17H,8-9H2,1-4H3
InChIKeyDLAOZOFWCCWHPQ-UHFFFAOYSA-N
XLogP1.93
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-phenylacetamide
CID 113057272
N-(2,6-diethylphenyl)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113058928
N-(3-chloro-2-methylphenyl)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113059791
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113059002
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113061072
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-propan-2-ylacetamide
CID 113052089
N-(3-fluorophenyl)-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113062684
N-tert-butyl-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113056671
3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 6621829
N-(3,5-dimethylphenyl)-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113058066
N-(3-chloro-4-methylphenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113060046
methyl N-[2-(N-acetyl-3-methylanilino)ethyl]carbamate
CID 113057469

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(3-methylphenyl)acetamide?
The IUPAC name of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(3-methylphenyl)acetamide (CID 113057520) is N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(3-methylphenyl)acetamide is CC(=O)N(CCNS(=O)(=O)c1c(C)noc1C)c1cccc(C)c1.
What is the InChIKey of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(3-methylphenyl)acetamide?
The InChIKey is DLAOZOFWCCWHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-11-6-5-7-15(10-11)19(14(4)20)9-8-17-24(21,22)16-12(2)18-23-13(16)3/h5-7,10,17H,8-9H2,1-4H3.
What are the key properties of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(3-methylphenyl)acetamide?
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(3-methylphenyl)acetamide has a molecular weight of 351.43 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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-(3-methylphenyl)acetamide is sourced from PubChem (CID 113057520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).