N-[1-(3-acetamidophenyl)ethyl]-5-(diethylsulfamoyl)-2-methylbenzamide

C22H29N3O4S — CID 43057860

IUPACN-[1-(3-acetamidophenyl)ethyl]-5-(diethylsulfamoyl)-2-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC(C)c2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C22H29N3O4S/c1-6-25(7-2)30(28,29)20-12-11-15(3)21(14-20)22(27)23-16(4)18-9-8-10-19(13-18)24-17(5)26/h8-14,16H,6-7H2,1-5H3,(H,23,27)(H,24,26)
InChIKeyCEMOKKHQCWWFCE-UHFFFAOYSA-N
MW431.56 g/mol
LogP3.47
Rot. Bonds8

About N-[1-(3-acetamidophenyl)ethyl]-5-(diethylsulfamoyl)-2-methylbenzamide

N-[1-(3-acetamidophenyl)ethyl]-5-(diethylsulfamoyl)-2-methylbenzamide (PubChem CID 43057860) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-5-(diethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-5-(diethylsulfamoyl)-2-methylbenzamide
PubChem CID43057860
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-5-(diethylsulfamoyl)-2-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC(C)c2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C22H29N3O4S/c1-6-25(7-2)30(28,29)20-12-11-15(3)21(14-20)22(27)23-16(4)18-9-8-10-19(13-18)24-17(5)26/h8-14,16H,6-7H2,1-5H3,(H,23,27)(H,24,26)
InChIKeyCEMOKKHQCWWFCE-UHFFFAOYSA-N
XLogP3.47
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-acetamidophenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 46598946
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methyl-5-methylsulfanylbenzamide
CID 55532925
methyl 3-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-3-phenylpropanoate
CID 17483777
5-(diethylsulfamoyl)-2-methoxy-N-(3-propan-2-ylphenyl)benzamide
CID 38707307
5-(diethylsulfamoyl)-2-methyl-N-(4-methylphenyl)benzamide
CID 8760171
N-[1-(3-acetamidophenyl)ethyl]-2-acetylbenzamide
CID 71867003
N-[(1R)-1-(3-acetamidophenyl)ethyl]-2-hydroxybenzamide
CID 38518872
5-(diethylsulfamoyl)-2-methyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55811834
5-(diethylsulfamoyl)-2-methyl-N-pyridin-3-ylbenzamide
CID 2993264
2,3-dichloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]benzamide
CID 112765419
N-(4-carbamoyl-3-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 56518335
N-[1-(3-acetamidophenyl)ethyl]-2-bromobenzamide
CID 46598923

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-5-(diethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-5-(diethylsulfamoyl)-2-methylbenzamide (CID 43057860) is N-[1-(3-acetamidophenyl)ethyl]-5-(diethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-5-(diethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-5-(diethylsulfamoyl)-2-methylbenzamide is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC(C)c2cccc(NC(C)=O)c2)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-5-(diethylsulfamoyl)-2-methylbenzamide?
The InChIKey is CEMOKKHQCWWFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-6-25(7-2)30(28,29)20-12-11-15(3)21(14-20)22(27)23-16(4)18-9-8-10-19(13-18)24-17(5)26/h8-14,16H,6-7H2,1-5H3,(H,23,27)(H,24,26).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-5-(diethylsulfamoyl)-2-methylbenzamide?
N-[1-(3-acetamidophenyl)ethyl]-5-(diethylsulfamoyl)-2-methylbenzamide has a molecular weight of 431.56 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-5-(diethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 43057860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).