N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-ethoxynaphthalene-1-carboxamide

C23H24N2O4S — CID 16831288

IUPACN-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-ethoxynaphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C23H24N2O4S/c1-2-29-21-14-9-17-7-3-4-8-20(17)22(21)23(26)24-18-10-12-19(13-11-18)25-15-5-6-16-30(25,27)28/h3-4,7-14H,2,5-6,15-16H2,1H3,(H,24,26)
InChIKeySHKDKADHNBIEGP-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.42
Rot. Bonds5

About N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-ethoxynaphthalene-1-carboxamide

N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-ethoxynaphthalene-1-carboxamide (PubChem CID 16831288) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-ethoxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-ethoxynaphthalene-1-carboxamide
PubChem CID16831288
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-ethoxynaphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C23H24N2O4S/c1-2-29-21-14-9-17-7-3-4-8-20(17)22(21)23(26)24-18-10-12-19(13-11-18)25-15-5-6-16-30(25,27)28/h3-4,7-14H,2,5-6,15-16H2,1H3,(H,24,26)
InChIKeySHKDKADHNBIEGP-UHFFFAOYSA-N
XLogP4.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4,5-triethoxybenzamide
CID 16831289
2-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]naphthalene-1-carboxamide
CID 121046316
2-ethoxy-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7687841
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide
CID 7424208
2-ethoxy-N-(2-ethoxypyrimidin-5-yl)naphthalene-1-carboxamide
CID 122301952
N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-ethoxynaphthalene-1-carboxamide
CID 121062474
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4,5-triethoxybenzamide
CID 18564859
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-(3,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685697
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide
CID 55433514
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 42489168
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide
CID 7424221

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-ethoxynaphthalene-1-carboxamide?
The IUPAC name of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-ethoxynaphthalene-1-carboxamide (CID 16831288) is N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-ethoxynaphthalene-1-carboxamide.
What is the SMILES notation for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-ethoxynaphthalene-1-carboxamide?
The canonical SMILES for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-ethoxynaphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1.
What is the InChIKey of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-ethoxynaphthalene-1-carboxamide?
The InChIKey is SHKDKADHNBIEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-2-29-21-14-9-17-7-3-4-8-20(17)22(21)23(26)24-18-10-12-19(13-11-18)25-15-5-6-16-30(25,27)28/h3-4,7-14H,2,5-6,15-16H2,1H3,(H,24,26).
What are the key properties of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-ethoxynaphthalene-1-carboxamide?
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-ethoxynaphthalene-1-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-ethoxynaphthalene-1-carboxamide is sourced from PubChem (CID 16831288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).