N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methyl-5-methylsulfanylbenzamide

C21H28N2O3S2 — CID 55532925

IUPACN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methyl-5-methylsulfanylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2cc(SC)ccc2C)cc1
InChIInChI=1S/C21H28N2O3S2/c1-6-23(7-2)28(25,26)19-12-9-17(10-13-19)16(4)22-21(24)20-14-18(27-5)11-8-15(20)3/h8-14,16H,6-7H2,1-5H3,(H,22,24)
InChIKeyBMWJJXZISCEIMR-UHFFFAOYSA-N
MW420.60 g/mol
LogP4.24
Rot. Bonds8

About N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methyl-5-methylsulfanylbenzamide

N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methyl-5-methylsulfanylbenzamide (PubChem CID 55532925) has the molecular formula C21H28N2O3S2 and a molecular weight of 420.60 g/mol. Its IUPAC name is N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methyl-5-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methyl-5-methylsulfanylbenzamide
PubChem CID55532925
Molecular FormulaC21H28N2O3S2
Molecular Weight420.60 g/mol
Exact Mass420.15
IUPAC NameN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methyl-5-methylsulfanylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2cc(SC)ccc2C)cc1
InChIInChI=1S/C21H28N2O3S2/c1-6-23(7-2)28(25,26)19-12-9-17(10-13-19)16(4)22-21(24)20-14-18(27-5)11-8-15(20)3/h8-14,16H,6-7H2,1-5H3,(H,22,24)
InChIKeyBMWJJXZISCEIMR-UHFFFAOYSA-N
XLogP4.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methyl-5-methylsulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-acetamidophenyl)ethyl]-5-(diethylsulfamoyl)-2-methylbenzamide
CID 43057860
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 43872531
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 8802080
2-chloro-5-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 51247083
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide
CID 51151532
2-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 34483278
2,3-dichloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]benzamide
CID 112765419
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 32752664
5-bromo-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]pyridine-3-carboxamide
CID 17448990
N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methylthiophene-2-carboxamide
CID 31526246
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide
CID 55339070
1-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[(1R)-1-(3,4-difluorophenyl)ethyl]urea
CID 52535105

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methyl-5-methylsulfanylbenzamide?
The IUPAC name of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methyl-5-methylsulfanylbenzamide (CID 55532925) is N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methyl-5-methylsulfanylbenzamide.
What is the SMILES notation for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methyl-5-methylsulfanylbenzamide?
The canonical SMILES for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methyl-5-methylsulfanylbenzamide is CCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2cc(SC)ccc2C)cc1.
What is the InChIKey of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methyl-5-methylsulfanylbenzamide?
The InChIKey is BMWJJXZISCEIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S2/c1-6-23(7-2)28(25,26)19-12-9-17(10-13-19)16(4)22-21(24)20-14-18(27-5)11-8-15(20)3/h8-14,16H,6-7H2,1-5H3,(H,22,24).
What are the key properties of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methyl-5-methylsulfanylbenzamide?
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methyl-5-methylsulfanylbenzamide has a molecular weight of 420.60 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methyl-5-methylsulfanylbenzamide is sourced from PubChem (CID 55532925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).