3-(diethylsulfamoyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C20H22N4O3S2 — CID 31154870

IUPAC3-(diethylsulfamoyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nc(C)c(-c3ccccn3)s2)c1
InChIInChI=1S/C20H22N4O3S2/c1-4-24(5-2)29(26,27)16-10-8-9-15(13-16)19(25)23-20-22-14(3)18(28-20)17-11-6-7-12-21-17/h6-13H,4-5H2,1-3H3,(H,22,23,25)
InChIKeyJTEPXPSNMSJSRK-UHFFFAOYSA-N
MW430.56 g/mol
LogP3.80
Rot. Bonds7

About 3-(diethylsulfamoyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

3-(diethylsulfamoyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 31154870) has the molecular formula C20H22N4O3S2 and a molecular weight of 430.56 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID31154870
Molecular FormulaC20H22N4O3S2
Molecular Weight430.56 g/mol
Exact Mass430.11
IUPAC Name3-(diethylsulfamoyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nc(C)c(-c3ccccn3)s2)c1
InChIInChI=1S/C20H22N4O3S2/c1-4-24(5-2)29(26,27)16-10-8-9-15(13-16)19(25)23-20-22-14(3)18(28-20)17-11-6-7-12-21-17/h6-13H,4-5H2,1-3H3,(H,22,23,25)
InChIKeyJTEPXPSNMSJSRK-UHFFFAOYSA-N
XLogP3.80
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2122297
3-(dipropylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 41163778
4-(dimethylamino)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31155104
3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1275885
6-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 31519632
4-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31154800
2,6-difluoro-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31171489
3-(diethylsulfamoyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide
CID 60571694
4-ethoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 31519461
4-amino-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 31154743
4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31157378
3-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide
CID 46511812

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 31154870) is 3-(diethylsulfamoyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nc(C)c(-c3ccccn3)s2)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is JTEPXPSNMSJSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S2/c1-4-24(5-2)29(26,27)16-10-8-9-15(13-16)19(25)23-20-22-14(3)18(28-20)17-11-6-7-12-21-17/h6-13H,4-5H2,1-3H3,(H,22,23,25).
What are the key properties of 3-(diethylsulfamoyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
3-(diethylsulfamoyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 430.56 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 31154870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).