N-cyclopentyl-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

C19H25N3O6S — CID 20903045

IUPACN-cyclopentyl-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESO=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21)NC1CCCC1
InChIInChI=1S/C19H25N3O6S/c23-18(20-14-3-1-2-4-14)12-22-16-11-15(5-6-17(16)28-13-19(22)24)29(25,26)21-7-9-27-10-8-21/h5-6,11,14H,1-4,7-10,12-13H2,(H,20,23)
InChIKeyUHQFBNSRLOHBAM-UHFFFAOYSA-N
MW423.49 g/mol
LogP0.49
Rot. Bonds5

About N-cyclopentyl-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

N-cyclopentyl-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 20903045) has the molecular formula C19H25N3O6S and a molecular weight of 423.49 g/mol. Its IUPAC name is N-cyclopentyl-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID20903045
Molecular FormulaC19H25N3O6S
Molecular Weight423.49 g/mol
Exact Mass423.15
IUPAC NameN-cyclopentyl-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESO=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21)NC1CCCC1
InChIInChI=1S/C19H25N3O6S/c23-18(20-14-3-1-2-4-14)12-22-16-11-15(5-6-17(16)28-13-19(22)24)29(25,26)21-7-9-27-10-8-21/h5-6,11,14H,1-4,7-10,12-13H2,(H,20,23)
InChIKeyUHQFBNSRLOHBAM-UHFFFAOYSA-N
XLogP0.49
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylcyclohexyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 20903071
N-cyclopropyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 20876450
N-cyclohexyl-2-(6-ethylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 95917193
4-(2-morpholin-4-yl-2-oxoethyl)-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one
CID 20903081
2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 20861542
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one
CID 20861548
2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylethyl)acetamide
CID 20903061
N-[2-[butan-2-yl(cyclohexyl)amino]ethyl]-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 20876532
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(3-oxo-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)acetamide
CID 98471530
2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 92664935
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(3-oxo-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)acetamide
CID 98471531
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide
CID 23410828

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 20903045) is N-cyclopentyl-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is UHQFBNSRLOHBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6S/c23-18(20-14-3-1-2-4-14)12-22-16-11-15(5-6-17(16)28-13-19(22)24)29(25,26)21-7-9-27-10-8-21/h5-6,11,14H,1-4,7-10,12-13H2,(H,20,23).
What are the key properties of N-cyclopentyl-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-cyclopentyl-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 423.49 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 20903045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).