N-(1,3-benzothiazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide

C20H23N3O3S2 — CID 46828199

IUPACN-(1,3-benzothiazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C20H23N3O3S2/c1-3-23(4-2)28(25,26)16-12-9-15(10-13-16)11-14-19(24)22-20-21-17-7-5-6-8-18(17)27-20/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,21,22,24)
InChIKeyKHRNQXPNBZOSRO-UHFFFAOYSA-N
MW417.56 g/mol
LogP3.90
Rot. Bonds8

About N-(1,3-benzothiazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide

N-(1,3-benzothiazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide (PubChem CID 46828199) has the molecular formula C20H23N3O3S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
PubChem CID46828199
Molecular FormulaC20H23N3O3S2
Molecular Weight417.56 g/mol
Exact Mass417.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C20H23N3O3S2/c1-3-23(4-2)28(25,26)16-12-9-15(10-13-16)11-14-19(24)22-20-21-17-7-5-6-8-18(17)27-20/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,21,22,24)
InChIKeyKHRNQXPNBZOSRO-UHFFFAOYSA-N
XLogP3.90
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzothiazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide 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-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide
CID 3472361
N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide
CID 2677030
3-[4-(diethylsulfamoyl)phenyl]-N-quinolin-2-ylpropanamide
CID 55436052
N-(1,3-benzothiazol-2-yl)-3-[5-(diethylsulfamoyl)benzimidazol-1-yl]propanamide
CID 53064207
3-(4-aminophenyl)-N-(1,3-benzothiazol-2-yl)propanamide
CID 61037275
N-(1,3-benzothiazol-2-yl)-3-[5-(diethylsulfamoyl)benzotriazol-1-yl]propanamide
CID 53064544
N-(1H-benzimidazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27649678
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 3315451
4-(1,3-benzothiazol-2-yl)-N,N-diethylbenzenesulfonamide
CID 3582989
2-[benzenesulfonyl(methyl)amino]-N-(1,3-benzothiazol-2-yl)acetamide
CID 2219880
6-(1,3-benzothiazol-2-ylamino)-6-oxohexanoate
CID 2063722
4-(diethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 8873954

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide (CID 46828199) is N-(1,3-benzothiazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2nc3ccccc3s2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The InChIKey is KHRNQXPNBZOSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S2/c1-3-23(4-2)28(25,26)16-12-9-15(10-13-16)11-14-19(24)22-20-21-17-7-5-6-8-18(17)27-20/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,21,22,24).
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide?
N-(1,3-benzothiazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide has a molecular weight of 417.56 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 46828199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).