4-(tert-butylsulfonylamino)-N-(8-ethyl-2-oxochromen-6-yl)benzamide

C22H24N2O5S — CID 20630833

IUPAC4-(tert-butylsulfonylamino)-N-(8-ethyl-2-oxochromen-6-yl)benzamide
SMILESCCc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc2ccc(=O)oc12
InChIInChI=1S/C22H24N2O5S/c1-5-14-12-18(13-16-8-11-19(25)29-20(14)16)23-21(26)15-6-9-17(10-7-15)24-30(27,28)22(2,3)4/h6-13,24H,5H2,1-4H3,(H,23,26)
InChIKeyLWZBTXBXYMTORS-UHFFFAOYSA-N
MW428.51 g/mol
LogP4.15
Rot. Bonds5

About 4-(tert-butylsulfonylamino)-N-(8-ethyl-2-oxochromen-6-yl)benzamide

4-(tert-butylsulfonylamino)-N-(8-ethyl-2-oxochromen-6-yl)benzamide (PubChem CID 20630833) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-(8-ethyl-2-oxochromen-6-yl)benzamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-(8-ethyl-2-oxochromen-6-yl)benzamide
PubChem CID20630833
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC Name4-(tert-butylsulfonylamino)-N-(8-ethyl-2-oxochromen-6-yl)benzamide
SMILESCCc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc2ccc(=O)oc12
InChIInChI=1S/C22H24N2O5S/c1-5-14-12-18(13-16-8-11-19(25)29-20(14)16)23-21(26)15-6-9-17(10-7-15)24-30(27,28)22(2,3)4/h6-13,24H,5H2,1-4H3,(H,23,26)
InChIKeyLWZBTXBXYMTORS-UHFFFAOYSA-N
XLogP4.15
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(tert-butylsulfonylamino)-N-[4-(2-hydroxypropan-2-yl)phenyl]benzamide
CID 20629931
N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)benzamide
CID 20630879
4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzodioxol-5-yl)benzamide
CID 20630819
N-[4-(benzenesulfonamido)phenyl]-4-(tert-butylsulfonylamino)benzamide
CID 20630386
4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,6-dimethylphenyl]benzamide
CID 20630033
4-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-phenylisoindol-5-yl)benzamide
CID 20629329
4-(tert-butylsulfonylamino)-N-[4-(2,2-diethylmorpholin-4-yl)phenyl]benzamide
CID 20629964
4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide
CID 20630356
4-(tert-butylsulfonylamino)-N-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]benzamide
CID 20629618
4-(tert-butylsulfonylamino)-N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]benzamide
CID 70792973
4-(tert-butylsulfonylamino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 20630338
N-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide
CID 142682977

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-(8-ethyl-2-oxochromen-6-yl)benzamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-(8-ethyl-2-oxochromen-6-yl)benzamide (CID 20630833) is 4-(tert-butylsulfonylamino)-N-(8-ethyl-2-oxochromen-6-yl)benzamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-(8-ethyl-2-oxochromen-6-yl)benzamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-(8-ethyl-2-oxochromen-6-yl)benzamide is CCc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc2ccc(=O)oc12.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-(8-ethyl-2-oxochromen-6-yl)benzamide?
The InChIKey is LWZBTXBXYMTORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-5-14-12-18(13-16-8-11-19(25)29-20(14)16)23-21(26)15-6-9-17(10-7-15)24-30(27,28)22(2,3)4/h6-13,24H,5H2,1-4H3,(H,23,26).
What are the key properties of 4-(tert-butylsulfonylamino)-N-(8-ethyl-2-oxochromen-6-yl)benzamide?
4-(tert-butylsulfonylamino)-N-(8-ethyl-2-oxochromen-6-yl)benzamide has a molecular weight of 428.51 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-(8-ethyl-2-oxochromen-6-yl)benzamide is sourced from PubChem (CID 20630833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).