N-[4-[2-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]sulfanylphenyl]acetamide

C23H25N3O5S — CID 24571008

IUPACN-[4-[2-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)N2CC(C(=O)N3CCOCC3)Oc3ccccc32)cc1
InChIInChI=1S/C23H25N3O5S/c1-16(27)24-17-6-8-18(9-7-17)32-15-22(28)26-14-21(23(29)25-10-12-30-13-11-25)31-20-5-3-2-4-19(20)26/h2-9,21H,10-15H2,1H3,(H,24,27)
InChIKeyBTDWLBSTFHGKGX-UHFFFAOYSA-N
MW455.54 g/mol
LogP2.39
Rot. Bonds5

About N-[4-[2-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]sulfanylphenyl]acetamide

N-[4-[2-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]sulfanylphenyl]acetamide (PubChem CID 24571008) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-[4-[2-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]sulfanylphenyl]acetamide
PubChem CID24571008
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC NameN-[4-[2-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)N2CC(C(=O)N3CCOCC3)Oc3ccccc32)cc1
InChIInChI=1S/C23H25N3O5S/c1-16(27)24-17-6-8-18(9-7-17)32-15-22(28)26-14-21(23(29)25-10-12-30-13-11-25)31-20-5-3-2-4-19(20)26/h2-9,21H,10-15H2,1H3,(H,24,27)
InChIKeyBTDWLBSTFHGKGX-UHFFFAOYSA-N
XLogP2.39
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]sulfanylphenyl]acetamide with MolForge

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Related Compounds

4-methyl-3-[2-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]-1,3-thiazol-2-one
CID 9450417
cyclopentyl-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 71901442
(2R)-2-(morpholine-4-carbonyl)-N-propan-2-yl-2,3-dihydro-1,4-benzoxazine-4-carbothioamide
CID 9239473
[(2R)-4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 9246660
2-benzo[e][1]benzofuran-1-yl-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 24506163
methyl (E)-4-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-4-oxobut-2-enoate
CID 146099543
2-(4-fluorophenoxy)-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 24506214
2-(3-methoxyphenyl)-1-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 27446738
3-methyl-N-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzamide
CID 24506179
1-ethyl-3-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzimidazol-2-one
CID 42925315
(2S)-4-(2-phenylsulfanylacetyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 9101031
[4-(4-fluorobenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 17464763

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[2-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]sulfanylphenyl]acetamide (CID 24571008) is N-[4-[2-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[2-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[2-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]sulfanylphenyl]acetamide is CC(=O)Nc1ccc(SCC(=O)N2CC(C(=O)N3CCOCC3)Oc3ccccc32)cc1.
What is the InChIKey of N-[4-[2-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]sulfanylphenyl]acetamide?
The InChIKey is BTDWLBSTFHGKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-16(27)24-17-6-8-18(9-7-17)32-15-22(28)26-14-21(23(29)25-10-12-30-13-11-25)31-20-5-3-2-4-19(20)26/h2-9,21H,10-15H2,1H3,(H,24,27).
What are the key properties of N-[4-[2-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]sulfanylphenyl]acetamide?
N-[4-[2-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]sulfanylphenyl]acetamide has a molecular weight of 455.54 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 24571008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).