N-cyclohexyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]acetamide

C16H21N3O5S — CID 71683883

IUPACN-cyclohexyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]acetamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)NCC(=O)NC3CCCCC3)ccc21
InChIInChI=1S/C16H21N3O5S/c1-19-13-8-7-12(9-14(13)24-16(19)21)25(22,23)17-10-15(20)18-11-5-3-2-4-6-11/h7-9,11,17H,2-6,10H2,1H3,(H,18,20)
InChIKeyLUPOUCHDOIFBNB-UHFFFAOYSA-N
MW367.43 g/mol
LogP0.86
Rot. Bonds5

About N-cyclohexyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]acetamide

N-cyclohexyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]acetamide (PubChem CID 71683883) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-cyclohexyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]acetamide
PubChem CID71683883
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC NameN-cyclohexyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]acetamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)NCC(=O)NC3CCCCC3)ccc21
InChIInChI=1S/C16H21N3O5S/c1-19-13-8-7-12(9-14(13)24-16(19)21)25(22,23)17-10-15(20)18-11-5-3-2-4-6-11/h7-9,11,17H,2-6,10H2,1H3,(H,18,20)
InChIKeyLUPOUCHDOIFBNB-UHFFFAOYSA-N
XLogP0.86
TPSA110.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclooctyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide
CID 46258690
N-cyclooctyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanamide
CID 20927548
3-methyl-N-(oxan-4-ylmethyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110736456
N-cyclooctyl-2-(2-oxo-6-sulfamoyl-1,3-benzoxazol-3-yl)acetamide
CID 36995103
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-cyclohexylacetamide
CID 112990970
3-methyl-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 46258694
N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112995022
N-(5-hydroxypentyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 107319361
N-cycloheptyl-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 20879513
2-[6-(cyclohexylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 3590656
N-(2,3-dihydroxypropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 66176261
1-cyclopentyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea
CID 110775565

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]acetamide?
The IUPAC name of N-cyclohexyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]acetamide (CID 71683883) is N-cyclohexyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]acetamide is Cn1c(=O)oc2cc(S(=O)(=O)NCC(=O)NC3CCCCC3)ccc21.
What is the InChIKey of N-cyclohexyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]acetamide?
The InChIKey is LUPOUCHDOIFBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5S/c1-19-13-8-7-12(9-14(13)24-16(19)21)25(22,23)17-10-15(20)18-11-5-3-2-4-6-11/h7-9,11,17H,2-6,10H2,1H3,(H,18,20).
What are the key properties of N-cyclohexyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]acetamide?
N-cyclohexyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]acetamide has a molecular weight of 367.43 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]acetamide is sourced from PubChem (CID 71683883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).