2-[ethylsulfonyl(methyl)amino]-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide

C15H21N3O4S — CID 100638472

IUPAC2-[ethylsulfonyl(methyl)amino]-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide
SMILESCCS(=O)(=O)N(C)CC(=O)NCCc1nc2c(C)cccc2o1
InChIInChI=1S/C15H21N3O4S/c1-4-23(20,21)18(3)10-13(19)16-9-8-14-17-15-11(2)6-5-7-12(15)22-14/h5-7H,4,8-10H2,1-3H3,(H,16,19)
InChIKeyBOAQLVBTOCGHEX-UHFFFAOYSA-N
MW339.42 g/mol
LogP1.08
Rot. Bonds7

About 2-[ethylsulfonyl(methyl)amino]-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide

2-[ethylsulfonyl(methyl)amino]-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide (PubChem CID 100638472) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-[ethylsulfonyl(methyl)amino]-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[ethylsulfonyl(methyl)amino]-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide
PubChem CID100638472
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name2-[ethylsulfonyl(methyl)amino]-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide
SMILESCCS(=O)(=O)N(C)CC(=O)NCCc1nc2c(C)cccc2o1
InChIInChI=1S/C15H21N3O4S/c1-4-23(20,21)18(3)10-13(19)16-9-8-14-17-15-11(2)6-5-7-12(15)22-14/h5-7H,4,8-10H2,1-3H3,(H,16,19)
InChIKeyBOAQLVBTOCGHEX-UHFFFAOYSA-N
XLogP1.08
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyethylamino)-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide
CID 119805097
(2R)-2-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]propanamide
CID 119335823
1-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 119805023
N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119805095
4-(aminomethyl)-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]oxane-4-carboxamide
CID 120935259
2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]-N-propylacetamide
CID 79994991
1-(4-methyl-1,3-benzoxazol-2-yl)butan-2-one
CID 112710879
(2S)-2-(2-cyanophenoxy)-3-methyl-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]butanamide
CID 100627691
2-(4-methyl-1,3-benzoxazol-2-yl)ethanamine;dihydrochloride
CID 91662919
N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119335797
2-(3-chloropropyl)-4-methyl-1,3-benzoxazole
CID 61037198
2,2-dimethyl-3-(4-methyl-1,3-benzoxazol-2-yl)propanoic acid
CID 83859383

Frequently Asked Questions

What is the IUPAC name of 2-[ethylsulfonyl(methyl)amino]-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-[ethylsulfonyl(methyl)amino]-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide (CID 100638472) is 2-[ethylsulfonyl(methyl)amino]-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[ethylsulfonyl(methyl)amino]-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[ethylsulfonyl(methyl)amino]-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide is CCS(=O)(=O)N(C)CC(=O)NCCc1nc2c(C)cccc2o1.
What is the InChIKey of 2-[ethylsulfonyl(methyl)amino]-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide?
The InChIKey is BOAQLVBTOCGHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-4-23(20,21)18(3)10-13(19)16-9-8-14-17-15-11(2)6-5-7-12(15)22-14/h5-7H,4,8-10H2,1-3H3,(H,16,19).
What are the key properties of 2-[ethylsulfonyl(methyl)amino]-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide?
2-[ethylsulfonyl(methyl)amino]-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide has a molecular weight of 339.42 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethylsulfonyl(methyl)amino]-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 100638472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).