N-[2-(dimethylsulfamoyl)ethyl]-3-(1,3-thiazol-2-yl)benzamide

C14H17N3O3S2 — CID 118780626

IUPACN-[2-(dimethylsulfamoyl)ethyl]-3-(1,3-thiazol-2-yl)benzamide
SMILESCN(C)S(=O)(=O)CCNC(=O)c1cccc(-c2nccs2)c1
InChIInChI=1S/C14H17N3O3S2/c1-17(2)22(19,20)9-7-15-13(18)11-4-3-5-12(10-11)14-16-6-8-21-14/h3-6,8,10H,7,9H2,1-2H3,(H,15,18)
InChIKeyNXGRIRWDHNBKTR-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.43
Rot. Bonds6

About N-[2-(dimethylsulfamoyl)ethyl]-3-(1,3-thiazol-2-yl)benzamide

N-[2-(dimethylsulfamoyl)ethyl]-3-(1,3-thiazol-2-yl)benzamide (PubChem CID 118780626) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)ethyl]-3-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)ethyl]-3-(1,3-thiazol-2-yl)benzamide
PubChem CID118780626
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC NameN-[2-(dimethylsulfamoyl)ethyl]-3-(1,3-thiazol-2-yl)benzamide
SMILESCN(C)S(=O)(=O)CCNC(=O)c1cccc(-c2nccs2)c1
InChIInChI=1S/C14H17N3O3S2/c1-17(2)22(19,20)9-7-15-13(18)11-4-3-5-12(10-11)14-16-6-8-21-14/h3-6,8,10H,7,9H2,1-2H3,(H,15,18)
InChIKeyNXGRIRWDHNBKTR-UHFFFAOYSA-N
XLogP1.43
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-3-(1,3-thiazol-2-yl)benzamide
CID 110372127
2-amino-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-carboxamide
CID 106342687
N-benzyl-N-methyl-3-(1,3-thiazol-2-yl)benzamide
CID 110372097
3-(dimethylsulfamoyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795483
3-methylsulfonyl-N-[2-oxo-3-[4-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]propyl]benzamide
CID 160842834
4-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methoxybenzamide
CID 106333049
4-amino-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide
CID 106333004
N-[3-[3-(1,3-thiazol-2-yl)phenyl]propyl]acetamide
CID 142902094
4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid
CID 106341849
N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 71801661
N-butyl-4-(1,3-thiazol-2-yl)benzamide
CID 110690289
6-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 114175120

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-3-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-3-(1,3-thiazol-2-yl)benzamide (CID 118780626) is N-[2-(dimethylsulfamoyl)ethyl]-3-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)ethyl]-3-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)ethyl]-3-(1,3-thiazol-2-yl)benzamide is CN(C)S(=O)(=O)CCNC(=O)c1cccc(-c2nccs2)c1.
What is the InChIKey of N-[2-(dimethylsulfamoyl)ethyl]-3-(1,3-thiazol-2-yl)benzamide?
The InChIKey is NXGRIRWDHNBKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-17(2)22(19,20)9-7-15-13(18)11-4-3-5-12(10-11)14-16-6-8-21-14/h3-6,8,10H,7,9H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(dimethylsulfamoyl)ethyl]-3-(1,3-thiazol-2-yl)benzamide?
N-[2-(dimethylsulfamoyl)ethyl]-3-(1,3-thiazol-2-yl)benzamide has a molecular weight of 339.44 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoyl)ethyl]-3-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 118780626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).