4-(diethylsulfamoyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide

C18H25N3O3S2 — CID 110395099

IUPAC4-(diethylsulfamoyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCCc2sc(C)nc2C)cc1
InChIInChI=1S/C18H25N3O3S2/c1-5-21(6-2)26(23,24)16-9-7-15(8-10-16)18(22)19-12-11-17-13(3)20-14(4)25-17/h7-10H,5-6,11-12H2,1-4H3,(H,19,22)
InChIKeyPKHPVZIKLPHIMZ-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.76
Rot. Bonds8

About 4-(diethylsulfamoyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide

4-(diethylsulfamoyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide (PubChem CID 110395099) has the molecular formula C18H25N3O3S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
PubChem CID110395099
Molecular FormulaC18H25N3O3S2
Molecular Weight395.55 g/mol
Exact Mass395.13
IUPAC Name4-(diethylsulfamoyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCCc2sc(C)nc2C)cc1
InChIInChI=1S/C18H25N3O3S2/c1-5-21(6-2)26(23,24)16-9-7-15(8-10-16)18(22)19-12-11-17-13(3)20-14(4)25-17/h7-10H,5-6,11-12H2,1-4H3,(H,19,22)
InChIKeyPKHPVZIKLPHIMZ-UHFFFAOYSA-N
XLogP2.76
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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4-(diethylsulfamoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
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N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide
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N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2093173
3-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide;dihydrochloride
CID 119882710
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4-(diethylsulfamoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728458
4-(diethylsulfamoyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide
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4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
2-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 119947163
N-[2-(cyclohexanecarbonylamino)ethyl]-4-(diethylsulfamoyl)benzamide
CID 55805923

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide (CID 110395099) is 4-(diethylsulfamoyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCc2sc(C)nc2C)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide?
The InChIKey is PKHPVZIKLPHIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S2/c1-5-21(6-2)26(23,24)16-9-7-15(8-10-16)18(22)19-12-11-17-13(3)20-14(4)25-17/h7-10H,5-6,11-12H2,1-4H3,(H,19,22).
What are the key properties of 4-(diethylsulfamoyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide?
4-(diethylsulfamoyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide has a molecular weight of 395.55 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 110395099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).