N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide

C16H21N3O5S — CID 113157773

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
SMILESCOc1ccc(CCNC(=O)CN(c2cc(C)on2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H21N3O5S/c1-12-10-15(18-24-12)19(25(3,21)22)11-16(20)17-9-8-13-4-6-14(23-2)7-5-13/h4-7,10H,8-9,11H2,1-3H3,(H,17,20)
InChIKeyOZRGYHFAOWKDGV-UHFFFAOYSA-N
MW367.43 g/mol
LogP1.12
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide

N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide (PubChem CID 113157773) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
PubChem CID113157773
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
SMILESCOc1ccc(CCNC(=O)CN(c2cc(C)on2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H21N3O5S/c1-12-10-15(18-24-12)19(25(3,21)22)11-16(20)17-9-8-13-4-6-14(23-2)7-5-13/h4-7,10H,8-9,11H2,1-3H3,(H,17,20)
InChIKeyOZRGYHFAOWKDGV-UHFFFAOYSA-N
XLogP1.12
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147341
N-(2,4-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157855
N-[3-(dimethylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157744
N-[2-(4-methoxyphenyl)ethyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 2229213
2-(4-bromo-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2281472
2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-propan-2-ylacetamide
CID 113157726
2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30220067
N-(2,6-dimethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157819
2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30242386
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113181784
N-[2-(4-methoxyphenyl)ethyl]-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149638
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2279376

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide (CID 113157773) is N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide is COc1ccc(CCNC(=O)CN(c2cc(C)on2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide?
The InChIKey is OZRGYHFAOWKDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5S/c1-12-10-15(18-24-12)19(25(3,21)22)11-16(20)17-9-8-13-4-6-14(23-2)7-5-13/h4-7,10H,8-9,11H2,1-3H3,(H,17,20).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide has a molecular weight of 367.43 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide is sourced from PubChem (CID 113157773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).