3-(methanesulfonamido)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide

C14H19N3O5S — CID 71896961

IUPAC3-(methanesulfonamido)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide
SMILESCC(NC(=O)CCNS(C)(=O)=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C14H19N3O5S/c1-9(16-13(18)5-6-15-23(2,20)21)10-3-4-12-11(7-10)17-14(19)8-22-12/h3-4,7,9,15H,5-6,8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyMPSWVXMJIIWDOY-UHFFFAOYSA-N
MW341.39 g/mol
LogP0.13
Rot. Bonds6

About 3-(methanesulfonamido)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide

3-(methanesulfonamido)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide (PubChem CID 71896961) has the molecular formula C14H19N3O5S and a molecular weight of 341.39 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide
PubChem CID71896961
Molecular FormulaC14H19N3O5S
Molecular Weight341.39 g/mol
Exact Mass341.10
IUPAC Name3-(methanesulfonamido)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide
SMILESCC(NC(=O)CCNS(C)(=O)=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C14H19N3O5S/c1-9(16-13(18)5-6-15-23(2,20)21)10-3-4-12-11(7-10)17-14(19)8-22-12/h3-4,7,9,15H,5-6,8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyMPSWVXMJIIWDOY-UHFFFAOYSA-N
XLogP0.13
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]butanamide;hydrochloride
CID 119728794
4-[3-oxo-3-[[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]amino]propyl]benzoic acid
CID 125150963
2-(4-methylphenyl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 43071969
1-(3-hydroxypropyl)-3-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]urea
CID 94149101
2-(2-methylphenyl)-N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 38958990
2-(2-methoxyethoxy)-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 94022978
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide
CID 71897538
N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-2-thiophen-2-ylacetamide
CID 38960523
N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]prop-2-enamide
CID 166407009
3-(4-morpholin-4-ylsulfonylphenyl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide
CID 55621180
2-(1,3-dioxoisoindol-2-yl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 43063607
N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 97088714

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide?
The IUPAC name of 3-(methanesulfonamido)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide (CID 71896961) is 3-(methanesulfonamido)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide is CC(NC(=O)CCNS(C)(=O)=O)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 3-(methanesulfonamido)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide?
The InChIKey is MPSWVXMJIIWDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5S/c1-9(16-13(18)5-6-15-23(2,20)21)10-3-4-12-11(7-10)17-14(19)8-22-12/h3-4,7,9,15H,5-6,8H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 3-(methanesulfonamido)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide?
3-(methanesulfonamido)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide has a molecular weight of 341.39 g/mol, XLogP of 0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide is sourced from PubChem (CID 71896961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).