2-(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C20H22FN3O5S — CID 71852875

IUPAC2-(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CN1CCOc2cccc(F)c21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H22FN3O5S/c21-17-2-1-3-18-20(17)23(8-13-29-18)14-19(25)22-15-4-6-16(7-5-15)30(26,27)24-9-11-28-12-10-24/h1-7H,8-14H2,(H,22,25)
InChIKeyUGEPKMTWRVGPOV-UHFFFAOYSA-N
MW435.48 g/mol
LogP1.68
Rot. Bonds5

About 2-(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 71852875) has the molecular formula C20H22FN3O5S and a molecular weight of 435.48 g/mol. Its IUPAC name is 2-(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID71852875
Molecular FormulaC20H22FN3O5S
Molecular Weight435.48 g/mol
Exact Mass435.13
IUPAC Name2-(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CN1CCOc2cccc(F)c21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H22FN3O5S/c21-17-2-1-3-18-20(17)23(8-13-29-18)14-19(25)22-15-4-6-16(7-5-15)30(26,27)24-9-11-28-12-10-24/h1-7H,8-14H2,(H,22,25)
InChIKeyUGEPKMTWRVGPOV-UHFFFAOYSA-N
XLogP1.68
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 55845745
2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 43833144
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2087425
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 108806474
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
2-(4-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 4880247
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide
CID 55868324
2-(4-methylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1152713
2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100033
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 71852875) is 2-(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is O=C(CN1CCOc2cccc(F)c21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is UGEPKMTWRVGPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O5S/c21-17-2-1-3-18-20(17)23(8-13-29-18)14-19(25)22-15-4-6-16(7-5-15)30(26,27)24-9-11-28-12-10-24/h1-7H,8-14H2,(H,22,25).
What are the key properties of 2-(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 435.48 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 71852875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).