N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C18H25N3O4S — CID 113064816

IUPACN-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1cc(C)on1
InChIInChI=1S/C18H25N3O4S/c1-13-12-17(20-25-13)21(14(2)22)11-10-19-26(23,24)16-8-6-15(7-9-16)18(3,4)5/h6-9,12,19H,10-11H2,1-5H3
InChIKeyVMZGEPWTXBORRA-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.61
Rot. Bonds6

About N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 113064816) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID113064816
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC NameN-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1cc(C)on1
InChIInChI=1S/C18H25N3O4S/c1-13-12-17(20-25-13)21(14(2)22)11-10-19-26(23,24)16-8-6-15(7-9-16)18(3,4)5/h6-9,12,19H,10-11H2,1-5H3
InChIKeyVMZGEPWTXBORRA-UHFFFAOYSA-N
XLogP2.61
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113064784
N-[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]ethyl]-4-tert-butylbenzamide
CID 113064726
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110370450
N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-propylacetamide
CID 113051954
N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide
CID 113056923
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113135846
4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716590
N-(2,6-difluorophenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113064563
N-(4-tert-butylphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide
CID 113059149
N-(3,5-dimethylphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113058068
N-[4-[(4-tert-butylphenyl)sulfonylamino]butyl]acetamide
CID 110358631
N-(4-ethylphenyl)-N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]acetamide
CID 113058469

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 113064816) is N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CC(=O)N(CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1cc(C)on1.
What is the InChIKey of N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is VMZGEPWTXBORRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-13-12-17(20-25-13)21(14(2)22)11-10-19-26(23,24)16-8-6-15(7-9-16)18(3,4)5/h6-9,12,19H,10-11H2,1-5H3.
What are the key properties of N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 379.48 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 113064816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).