N-[(2S)-3-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-methoxyphenyl)-3-oxopropyl]methanesulfonamide

C18H21N3O5S — CID 154704671

IUPACN-[(2S)-3-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-methoxyphenyl)-3-oxopropyl]methanesulfonamide
SMILESCOc1ccc([C@@H](CNS(C)(=O)=O)C(=O)N2CCOc3ccncc32)cc1
InChIInChI=1S/C18H21N3O5S/c1-25-14-5-3-13(4-6-14)15(11-20-27(2,23)24)18(22)21-9-10-26-17-7-8-19-12-16(17)21/h3-8,12,15,20H,9-11H2,1-2H3/t15-/m1/s1
InChIKeyVXRUOWNOSMRJRB-OAHLLOKOSA-N
MW391.45 g/mol
LogP1.15
Rot. Bonds6

About N-[(2S)-3-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-methoxyphenyl)-3-oxopropyl]methanesulfonamide

N-[(2S)-3-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-methoxyphenyl)-3-oxopropyl]methanesulfonamide (PubChem CID 154704671) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[(2S)-3-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-methoxyphenyl)-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-3-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-methoxyphenyl)-3-oxopropyl]methanesulfonamide
PubChem CID154704671
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC NameN-[(2S)-3-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-methoxyphenyl)-3-oxopropyl]methanesulfonamide
SMILESCOc1ccc([C@@H](CNS(C)(=O)=O)C(=O)N2CCOc3ccncc32)cc1
InChIInChI=1S/C18H21N3O5S/c1-25-14-5-3-13(4-6-14)15(11-20-27(2,23)24)18(22)21-9-10-26-17-7-8-19-12-16(17)21/h3-8,12,15,20H,9-11H2,1-2H3/t15-/m1/s1
InChIKeyVXRUOWNOSMRJRB-OAHLLOKOSA-N
XLogP1.15
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-prop-2-ynyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide
CID 167779163
2-adamantyl(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone
CID 167926677
(3,5-dibromo-4-hydroxyphenyl)-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone;sulfuric acid
CID 44608872
N-(2-chloro-2,2-difluoroethyl)-N-methyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide
CID 166315197
4-acetyl-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22519367
1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-1-one
CID 91652693
3-amino-1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenylpropan-1-one
CID 62876977
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-[5-(4-methoxyphenyl)-3-pyridinyl]ethanone
CID 169221262
2-(3-chlorophenyl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone
CID 166227093
3-(4-methoxyphenyl)-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
CID 110412908
2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone
CID 66936639
(4-methoxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 110639161

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-methoxyphenyl)-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-[(2S)-3-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-methoxyphenyl)-3-oxopropyl]methanesulfonamide (CID 154704671) is N-[(2S)-3-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-methoxyphenyl)-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-3-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-methoxyphenyl)-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-[(2S)-3-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-methoxyphenyl)-3-oxopropyl]methanesulfonamide is COc1ccc([C@@H](CNS(C)(=O)=O)C(=O)N2CCOc3ccncc32)cc1.
What is the InChIKey of N-[(2S)-3-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-methoxyphenyl)-3-oxopropyl]methanesulfonamide?
The InChIKey is VXRUOWNOSMRJRB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-25-14-5-3-13(4-6-14)15(11-20-27(2,23)24)18(22)21-9-10-26-17-7-8-19-12-16(17)21/h3-8,12,15,20H,9-11H2,1-2H3/t15-/m1/s1.
What are the key properties of N-[(2S)-3-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-methoxyphenyl)-3-oxopropyl]methanesulfonamide?
N-[(2S)-3-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-methoxyphenyl)-3-oxopropyl]methanesulfonamide has a molecular weight of 391.45 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-methoxyphenyl)-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 154704671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).