2-(benzenesulfonamido)-N-(3,4-dioxooxazinan-5-yl)-3-methylbutanamide

C15H19N3O6S — CID 138730114

IUPAC2-(benzenesulfonamido)-N-(3,4-dioxooxazinan-5-yl)-3-methylbutanamide
SMILESCC(C)C(NS(=O)(=O)c1ccccc1)C(=O)NC1CONC(=O)C1=O
InChIInChI=1S/C15H19N3O6S/c1-9(2)12(18-25(22,23)10-6-4-3-5-7-10)14(20)16-11-8-24-17-15(21)13(11)19/h3-7,9,11-12,18H,8H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyBEDOEZLLEAMTIH-UHFFFAOYSA-N
MW369.40 g/mol
LogP-0.90
Rot. Bonds6

About 2-(benzenesulfonamido)-N-(3,4-dioxooxazinan-5-yl)-3-methylbutanamide

2-(benzenesulfonamido)-N-(3,4-dioxooxazinan-5-yl)-3-methylbutanamide (PubChem CID 138730114) has the molecular formula C15H19N3O6S and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-(3,4-dioxooxazinan-5-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-(3,4-dioxooxazinan-5-yl)-3-methylbutanamide
PubChem CID138730114
Molecular FormulaC15H19N3O6S
Molecular Weight369.40 g/mol
Exact Mass369.10
IUPAC Name2-(benzenesulfonamido)-N-(3,4-dioxooxazinan-5-yl)-3-methylbutanamide
SMILESCC(C)C(NS(=O)(=O)c1ccccc1)C(=O)NC1CONC(=O)C1=O
InChIInChI=1S/C15H19N3O6S/c1-9(2)12(18-25(22,23)10-6-4-3-5-7-10)14(20)16-11-8-24-17-15(21)13(11)19/h3-7,9,11-12,18H,8H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyBEDOEZLLEAMTIH-UHFFFAOYSA-N
XLogP-0.90
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-(benzenesulfonamido)-N-(3,4-dioxooxazinan-5-yl)-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzenesulfonamido)-N-(3,4-dioxooxazocan-5-yl)-3-methylbutanamide
CID 138731399
2-(benzenesulfonamido)-N-(4,5-dioxo-3-azabicyclo[6.2.1]undecan-6-yl)-3-methylbutanamide
CID 138730384
N-[1-(3,4-dioxooxazepan-5-yl)-4-methyl-2-oxopentan-3-yl]benzenesulfonamide
CID 148587281
2-(benzenesulfonamido)-N-(6,7-dioxo-4,5,8,9,10,11-hexahydro-[1,2]oxazolo[5,4-e]azecin-5-yl)-3-methylbutanamide
CID 138731105
2-(benzenesulfonamido)-N-(7,8-dioxo-6,9,10,11-tetrahydro-5H-pyrido[2,3-d]azonin-6-yl)-3-methylbutanamide
CID 138730294
2-(benzenesulfonamido)-N-(7,8-dioxo-6,9,10,11-tetrahydro-5H-pyrido[3,4-d]azonin-6-yl)-3-methylbutanamide
CID 138730646
2-(benzenesulfonamido)-N-(7,8-dioxo-5,6,9,10-tetrahydro-4H-[1,3]thiazolo[5,4-d]azonin-9-yl)-3-methylbutanamide
CID 138730305
2-(benzenesulfonamido)-N-(4,5-dioxo-6,13-diazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)-3-methylbutanamide
CID 138730437
(2S)-2-(benzenesulfonamido)-3-methylbutanoic acid;methane
CID 158887122
2-(benzenesulfonamido)-N-(6,7-dioxo-12-thia-5,14-diazabicyclo[9.2.1]tetradeca-1(13),11(14)-dien-8-yl)-3-methylbutanamide
CID 138730803
(2R)-3-methyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]butanoic acid
CID 71347191
N-[1-(4,5-dioxo-1-oxa-6-azacycloundec-3-yl)-4-methyl-2-oxopentan-3-yl]benzenesulfonamide
CID 147333812

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-(3,4-dioxooxazinan-5-yl)-3-methylbutanamide?
The IUPAC name of 2-(benzenesulfonamido)-N-(3,4-dioxooxazinan-5-yl)-3-methylbutanamide (CID 138730114) is 2-(benzenesulfonamido)-N-(3,4-dioxooxazinan-5-yl)-3-methylbutanamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-(3,4-dioxooxazinan-5-yl)-3-methylbutanamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-(3,4-dioxooxazinan-5-yl)-3-methylbutanamide is CC(C)C(NS(=O)(=O)c1ccccc1)C(=O)NC1CONC(=O)C1=O.
What is the InChIKey of 2-(benzenesulfonamido)-N-(3,4-dioxooxazinan-5-yl)-3-methylbutanamide?
The InChIKey is BEDOEZLLEAMTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O6S/c1-9(2)12(18-25(22,23)10-6-4-3-5-7-10)14(20)16-11-8-24-17-15(21)13(11)19/h3-7,9,11-12,18H,8H2,1-2H3,(H,16,20)(H,17,21).
What are the key properties of 2-(benzenesulfonamido)-N-(3,4-dioxooxazinan-5-yl)-3-methylbutanamide?
2-(benzenesulfonamido)-N-(3,4-dioxooxazinan-5-yl)-3-methylbutanamide has a molecular weight of 369.40 g/mol, XLogP of -0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-(3,4-dioxooxazinan-5-yl)-3-methylbutanamide is sourced from PubChem (CID 138730114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).