N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide

C26H29N3O5S — CID 24583228

IUPACN-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CNc2cc3oc4ccccc4c3cc2OC)c1
InChIInChI=1S/C26H29N3O5S/c1-5-29(6-2)35(31,32)18-12-11-17(3)21(13-18)28-26(30)16-27-22-15-24-20(14-25(22)33-4)19-9-7-8-10-23(19)34-24/h7-15,27H,5-6,16H2,1-4H3,(H,28,30)
InChIKeyPTJSEHFAZZRHAY-UHFFFAOYSA-N
MW495.60 g/mol
LogP4.98
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide

N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide (PubChem CID 24583228) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide
PubChem CID24583228
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC NameN-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CNc2cc3oc4ccccc4c3cc2OC)c1
InChIInChI=1S/C26H29N3O5S/c1-5-29(6-2)35(31,32)18-12-11-17(3)21(13-18)28-26(30)16-27-22-15-24-20(14-25(22)33-4)19-9-7-8-10-23(19)34-24/h7-15,27H,5-6,16H2,1-4H3,(H,28,30)
InChIKeyPTJSEHFAZZRHAY-UHFFFAOYSA-N
XLogP4.98
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_alk_A(4)', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]acetamide
CID 24616682
N-[3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55897560
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(naphthalen-1-ylamino)acetamide
CID 24510599
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,5-dimethylanilino)acetamide
CID 26505603
N,N-diethyl-4-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]benzamide
CID 42068388
2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31693977
N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7928997
methyl 3-[[2-[5-(diethylsulfamoyl)-2-methylanilino]acetyl]amino]-4-methylbenzoate
CID 17392379
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 1254177
N-(5-chloro-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-methylanilino]acetamide
CID 17396256
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(2-methoxyphenyl)acetamide
CID 9100537
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide
CID 24583231

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide (CID 24583228) is N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide is CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CNc2cc3oc4ccccc4c3cc2OC)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide?
The InChIKey is PTJSEHFAZZRHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-5-29(6-2)35(31,32)18-12-11-17(3)21(13-18)28-26(30)16-27-22-15-24-20(14-25(22)33-4)19-9-7-8-10-23(19)34-24/h7-15,27H,5-6,16H2,1-4H3,(H,28,30).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide?
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide has a molecular weight of 495.60 g/mol, XLogP of 4.98, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide is sourced from PubChem (CID 24583228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).