N-(3-benzoyl-1,1-dioxo-2-pentyl-1λ6,2-benzothiazin-4-yl)-2-naphthalen-2-yloxyacetamide

C32H30N2O5S — CID 44666434

IUPACN-(3-benzoyl-1,1-dioxo-2-pentyl-1λ6,2-benzothiazin-4-yl)-2-naphthalen-2-yloxyacetamide
SMILESCCCCCN1C(C(=O)c2ccccc2)=C(NC(=O)COc2ccc3ccccc3c2)c2ccccc2S1(=O)=O
InChIInChI=1S/C32H30N2O5S/c1-2-3-11-20-34-31(32(36)24-13-5-4-6-14-24)30(27-16-9-10-17-28(27)40(34,37)38)33-29(35)22-39-26-19-18-23-12-7-8-15-25(23)21-26/h4-10,12-19,21H,2-3,11,20,22H2,1H3,(H,33,35)
InChIKeyRGKOZLHWHUQKFL-UHFFFAOYSA-N
MW554.67 g/mol
LogP5.78
Rot. Bonds10

About N-(3-benzoyl-1,1-dioxo-2-pentyl-1λ6,2-benzothiazin-4-yl)-2-naphthalen-2-yloxyacetamide

N-(3-benzoyl-1,1-dioxo-2-pentyl-1λ6,2-benzothiazin-4-yl)-2-naphthalen-2-yloxyacetamide (PubChem CID 44666434) has the molecular formula C32H30N2O5S and a molecular weight of 554.67 g/mol. Its IUPAC name is N-(3-benzoyl-1,1-dioxo-2-pentyl-1λ6,2-benzothiazin-4-yl)-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(3-benzoyl-1,1-dioxo-2-pentyl-1λ6,2-benzothiazin-4-yl)-2-naphthalen-2-yloxyacetamide
PubChem CID44666434
Molecular FormulaC32H30N2O5S
Molecular Weight554.67 g/mol
Exact Mass554.19
IUPAC NameN-(3-benzoyl-1,1-dioxo-2-pentyl-1λ6,2-benzothiazin-4-yl)-2-naphthalen-2-yloxyacetamide
SMILESCCCCCN1C(C(=O)c2ccccc2)=C(NC(=O)COc2ccc3ccccc3c2)c2ccccc2S1(=O)=O
InChIInChI=1S/C32H30N2O5S/c1-2-3-11-20-34-31(32(36)24-13-5-4-6-14-24)30(27-16-9-10-17-28(27)40(34,37)38)33-29(35)22-39-26-19-18-23-12-7-8-15-25(23)21-26/h4-10,12-19,21H,2-3,11,20,22H2,1H3,(H,33,35)
InChIKeyRGKOZLHWHUQKFL-UHFFFAOYSA-N
XLogP5.78
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.67
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-benzoyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl)-2-phenoxyacetamide
CID 23605516
(4-butoxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone;(2-methyl-1,1-dioxo-4-propoxy-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone
CID 158330362
N'-(2-naphthalen-2-yloxyacetyl)octanehydrazide
CID 4958774
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
N-(1-methylpyrazol-3-yl)-2-naphthalen-2-yloxyacetamide
CID 8810740
N-(2-hydroxy-4-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 2688141
2-naphthalen-2-yloxy-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6534039
2-naphthalen-2-yloxy-N-pentan-3-ylacetamide
CID 24951700
N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-naphthalen-2-yloxyacetamide
CID 26157869
N-(2-amino-2-ethylbutyl)-2-naphthalen-2-yloxyacetamide
CID 119639639
N-(2-methylsulfanylphenyl)-2-naphthalen-2-yloxyacetamide
CID 4805358
N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]propanamide
CID 807123

Frequently Asked Questions

What is the IUPAC name of N-(3-benzoyl-1,1-dioxo-2-pentyl-1λ6,2-benzothiazin-4-yl)-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(3-benzoyl-1,1-dioxo-2-pentyl-1λ6,2-benzothiazin-4-yl)-2-naphthalen-2-yloxyacetamide (CID 44666434) is N-(3-benzoyl-1,1-dioxo-2-pentyl-1λ6,2-benzothiazin-4-yl)-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(3-benzoyl-1,1-dioxo-2-pentyl-1λ6,2-benzothiazin-4-yl)-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(3-benzoyl-1,1-dioxo-2-pentyl-1λ6,2-benzothiazin-4-yl)-2-naphthalen-2-yloxyacetamide is CCCCCN1C(C(=O)c2ccccc2)=C(NC(=O)COc2ccc3ccccc3c2)c2ccccc2S1(=O)=O.
What is the InChIKey of N-(3-benzoyl-1,1-dioxo-2-pentyl-1λ6,2-benzothiazin-4-yl)-2-naphthalen-2-yloxyacetamide?
The InChIKey is RGKOZLHWHUQKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O5S/c1-2-3-11-20-34-31(32(36)24-13-5-4-6-14-24)30(27-16-9-10-17-28(27)40(34,37)38)33-29(35)22-39-26-19-18-23-12-7-8-15-25(23)21-26/h4-10,12-19,21H,2-3,11,20,22H2,1H3,(H,33,35).
What are the key properties of N-(3-benzoyl-1,1-dioxo-2-pentyl-1λ6,2-benzothiazin-4-yl)-2-naphthalen-2-yloxyacetamide?
N-(3-benzoyl-1,1-dioxo-2-pentyl-1λ6,2-benzothiazin-4-yl)-2-naphthalen-2-yloxyacetamide has a molecular weight of 554.67 g/mol, XLogP of 5.78, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoyl-1,1-dioxo-2-pentyl-1λ6,2-benzothiazin-4-yl)-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 44666434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).