N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[3-(2-phenylethynyl)anilino]acetamide

C27H29N3O4S — CID 25409083

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[3-(2-phenylethynyl)anilino]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CNc2cccc(C#Cc3ccccc3)c2)c1
InChIInChI=1S/C27H29N3O4S/c1-4-30(5-2)35(32,33)24-16-17-26(34-3)25(19-24)29-27(31)20-28-23-13-9-12-22(18-23)15-14-21-10-7-6-8-11-21/h6-13,16-19,28H,4-5,20H2,1-3H3,(H,29,31)
InChIKeyFCHWIIDUESNJMV-UHFFFAOYSA-N
MW491.61 g/mol
LogP4.18
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[3-(2-phenylethynyl)anilino]acetamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[3-(2-phenylethynyl)anilino]acetamide (PubChem CID 25409083) has the molecular formula C27H29N3O4S and a molecular weight of 491.61 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[3-(2-phenylethynyl)anilino]acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[3-(2-phenylethynyl)anilino]acetamide
PubChem CID25409083
Molecular FormulaC27H29N3O4S
Molecular Weight491.61 g/mol
Exact Mass491.19
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[3-(2-phenylethynyl)anilino]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CNc2cccc(C#Cc3ccccc3)c2)c1
InChIInChI=1S/C27H29N3O4S/c1-4-30(5-2)35(32,33)24-16-17-26(34-3)25(19-24)29-27(31)20-28-23-13-9-12-22(18-23)15-14-21-10-7-6-8-11-21/h6-13,16-19,28H,4-5,20H2,1-3H3,(H,29,31)
InChIKeyFCHWIIDUESNJMV-UHFFFAOYSA-N
XLogP4.18
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(naphthalen-1-ylamino)acetamide
CID 24510599
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-phenylsulfanylacetamide
CID 2914927
2-[4-(diethylsulfamoyl)anilino]-N-(2,5-dimethoxyphenyl)acetamide
CID 9084037
2-[3-(diethylsulfamoyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
CID 29327817
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,5-dimethylanilino)acetamide
CID 26505603
N-[3-[[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 24662396
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 55565210
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methoxyanilino)acetamide
CID 9080497
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-methylsulfanylacetamide
CID 17407665
2-(2,5-dichloroanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 24510593
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622
N-(3-chloro-4-methoxyphenyl)-2-[3-(2-phenylethynyl)anilino]acetamide
CID 112812610

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[3-(2-phenylethynyl)anilino]acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[3-(2-phenylethynyl)anilino]acetamide (CID 25409083) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[3-(2-phenylethynyl)anilino]acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[3-(2-phenylethynyl)anilino]acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[3-(2-phenylethynyl)anilino]acetamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CNc2cccc(C#Cc3ccccc3)c2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[3-(2-phenylethynyl)anilino]acetamide?
The InChIKey is FCHWIIDUESNJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4S/c1-4-30(5-2)35(32,33)24-16-17-26(34-3)25(19-24)29-27(31)20-28-23-13-9-12-22(18-23)15-14-21-10-7-6-8-11-21/h6-13,16-19,28H,4-5,20H2,1-3H3,(H,29,31).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[3-(2-phenylethynyl)anilino]acetamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[3-(2-phenylethynyl)anilino]acetamide has a molecular weight of 491.61 g/mol, XLogP of 4.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[3-(2-phenylethynyl)anilino]acetamide is sourced from PubChem (CID 25409083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).