N-[1-(3,4-dioxooxazepan-5-yl)-4-methyl-2-oxopentan-3-yl]benzenesulfonamide

C17H22N2O6S — CID 148587281

IUPACN-[1-(3,4-dioxooxazepan-5-yl)-4-methyl-2-oxopentan-3-yl]benzenesulfonamide
SMILESCC(C)C(NS(=O)(=O)c1ccccc1)C(=O)CC1CCONC(=O)C1=O
InChIInChI=1S/C17H22N2O6S/c1-11(2)15(19-26(23,24)13-6-4-3-5-7-13)14(20)10-12-8-9-25-18-17(22)16(12)21/h3-7,11-12,15,19H,8-10H2,1-2H3,(H,18,22)
InChIKeyMZYHDQCVFNIDHQ-UHFFFAOYSA-N
MW382.44 g/mol
LogP0.59
Rot. Bonds7

About N-[1-(3,4-dioxooxazepan-5-yl)-4-methyl-2-oxopentan-3-yl]benzenesulfonamide

N-[1-(3,4-dioxooxazepan-5-yl)-4-methyl-2-oxopentan-3-yl]benzenesulfonamide (PubChem CID 148587281) has the molecular formula C17H22N2O6S and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[1-(3,4-dioxooxazepan-5-yl)-4-methyl-2-oxopentan-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-dioxooxazepan-5-yl)-4-methyl-2-oxopentan-3-yl]benzenesulfonamide
PubChem CID148587281
Molecular FormulaC17H22N2O6S
Molecular Weight382.44 g/mol
Exact Mass382.12
IUPAC NameN-[1-(3,4-dioxooxazepan-5-yl)-4-methyl-2-oxopentan-3-yl]benzenesulfonamide
SMILESCC(C)C(NS(=O)(=O)c1ccccc1)C(=O)CC1CCONC(=O)C1=O
InChIInChI=1S/C17H22N2O6S/c1-11(2)15(19-26(23,24)13-6-4-3-5-7-13)14(20)10-12-8-9-25-18-17(22)16(12)21/h3-7,11-12,15,19H,8-10H2,1-2H3,(H,18,22)
InChIKeyMZYHDQCVFNIDHQ-UHFFFAOYSA-N
XLogP0.59
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(benzenesulfonamido)-N-(3,4-dioxooxazocan-5-yl)-3-methylbutanamide
CID 138731399
N-[1-(4,5-dioxo-1-oxa-6-azacycloundec-3-yl)-4-methyl-2-oxopentan-3-yl]benzenesulfonamide
CID 147333812
2-(benzenesulfonamido)-N-(3,4-dioxooxazinan-5-yl)-3-methylbutanamide
CID 138730114
N-[1-(6,7-dioxo-14-oxa-5,13-diazabicyclo[9.3.0]tetradeca-1(11),12-dien-8-yl)-4-methyl-2-oxopentan-3-yl]benzenesulfonamide
CID 160974917
N-[1-(5,6-dioxo-13-oxa-4,12-diazabicyclo[9.2.1]tetradeca-1(14),11-dien-7-yl)-4-methyl-2-oxopentan-3-yl]benzenesulfonamide
CID 152842821
N-[(3S)-1-(2,3-dioxoazepan-4-yl)-4-methyl-2-oxopentan-3-yl]-4-fluorobenzenesulfonamide
CID 149043347
N-[1-(4,5-dioxo-3-bicyclo[6.2.1]undecanyl)-4-methyl-2-oxopentan-3-yl]benzenesulfonamide
CID 149343510
N-[1-(6,7-dioxo-5,14,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-8-yl)-4-methyl-2-oxopentan-3-yl]benzenesulfonamide
CID 157049395
N-[1-(5,6-dioxo-13-thia-4,12-diazabicyclo[9.2.1]tetradeca-1(14),11-dien-7-yl)-4-methyl-2-oxopentan-3-yl]benzenesulfonamide
CID 158437720
N-[1-(6,7-dioxo-13-oxa-5,11-diazabicyclo[8.2.1]trideca-1(12),10-dien-8-yl)-4-methyl-2-oxopentan-3-yl]benzenesulfonamide
CID 148903420
N-[1-(4,5-dioxo-12-oxa-6,14-diazabicyclo[9.2.1]tetradeca-1(13),11(14)-dien-3-yl)-4-methyl-2-oxopentan-3-yl]benzenesulfonamide
CID 160755572
N-[1-(5,6-dioxo-1-oxa-4-azacyclododec-7-yl)-5-methyl-2-oxohexan-3-yl]benzenesulfonamide
CID 148738666

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dioxooxazepan-5-yl)-4-methyl-2-oxopentan-3-yl]benzenesulfonamide?
The IUPAC name of N-[1-(3,4-dioxooxazepan-5-yl)-4-methyl-2-oxopentan-3-yl]benzenesulfonamide (CID 148587281) is N-[1-(3,4-dioxooxazepan-5-yl)-4-methyl-2-oxopentan-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(3,4-dioxooxazepan-5-yl)-4-methyl-2-oxopentan-3-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(3,4-dioxooxazepan-5-yl)-4-methyl-2-oxopentan-3-yl]benzenesulfonamide is CC(C)C(NS(=O)(=O)c1ccccc1)C(=O)CC1CCONC(=O)C1=O.
What is the InChIKey of N-[1-(3,4-dioxooxazepan-5-yl)-4-methyl-2-oxopentan-3-yl]benzenesulfonamide?
The InChIKey is MZYHDQCVFNIDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6S/c1-11(2)15(19-26(23,24)13-6-4-3-5-7-13)14(20)10-12-8-9-25-18-17(22)16(12)21/h3-7,11-12,15,19H,8-10H2,1-2H3,(H,18,22).
What are the key properties of N-[1-(3,4-dioxooxazepan-5-yl)-4-methyl-2-oxopentan-3-yl]benzenesulfonamide?
N-[1-(3,4-dioxooxazepan-5-yl)-4-methyl-2-oxopentan-3-yl]benzenesulfonamide has a molecular weight of 382.44 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dioxooxazepan-5-yl)-4-methyl-2-oxopentan-3-yl]benzenesulfonamide is sourced from PubChem (CID 148587281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).