4-[butyl(ethyl)sulfamoyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide

C20H28N4O3S2 — CID 26841074

IUPAC4-[butyl(ethyl)sulfamoyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(C)CC3)cc1
InChIInChI=1S/C20H28N4O3S2/c1-4-6-12-24(5-2)29(26,27)16-9-7-15(8-10-16)19(25)22-20-21-17-11-13-23(3)14-18(17)28-20/h7-10H,4-6,11-14H2,1-3H3,(H,21,22,25)
InChIKeyBQOFNZIZCVOWER-UHFFFAOYSA-N
MW436.60 g/mol
LogP3.19
Rot. Bonds8

About 4-[butyl(ethyl)sulfamoyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide

4-[butyl(ethyl)sulfamoyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide (PubChem CID 26841074) has the molecular formula C20H28N4O3S2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 4-[butyl(ethyl)sulfamoyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name4-[butyl(ethyl)sulfamoyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
PubChem CID26841074
Molecular FormulaC20H28N4O3S2
Molecular Weight436.60 g/mol
Exact Mass436.16
IUPAC Name4-[butyl(ethyl)sulfamoyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(C)CC3)cc1
InChIInChI=1S/C20H28N4O3S2/c1-4-6-12-24(5-2)29(26,27)16-9-7-15(8-10-16)19(25)22-20-21-17-11-13-23(3)14-18(17)28-20/h7-10H,4-6,11-14H2,1-3H3,(H,21,22,25)
InChIKeyBQOFNZIZCVOWER-UHFFFAOYSA-N
XLogP3.19
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 44827026
4-(dimethylsulfamoyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
CID 44826978
4-(diethylaminomethyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 55650727
4-[bis(2-methylpropyl)sulfamoyl]-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
CID 18567188
4-[bis(prop-2-enyl)sulfamoyl]-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 44976286
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(dipropylsulfamoyl)benzamide;hydrochloride
CID 44827139
4-ethoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
CID 44827009
4-[butyl(ethyl)sulfamoyl]-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide
CID 3357772
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
CID 44975817
4-[bis(2-methylpropyl)sulfamoyl]-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
CID 18567168
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-ethylsulfonylbenzamide
CID 26841185
2-[[4-(dibutylsulfamoyl)benzoyl]amino]-N,N,6-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951233

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(ethyl)sulfamoyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The IUPAC name of 4-[butyl(ethyl)sulfamoyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide (CID 26841074) is 4-[butyl(ethyl)sulfamoyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide.
What is the SMILES notation for 4-[butyl(ethyl)sulfamoyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The canonical SMILES for 4-[butyl(ethyl)sulfamoyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide is CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(C)CC3)cc1.
What is the InChIKey of 4-[butyl(ethyl)sulfamoyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The InChIKey is BQOFNZIZCVOWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S2/c1-4-6-12-24(5-2)29(26,27)16-9-7-15(8-10-16)19(25)22-20-21-17-11-13-23(3)14-18(17)28-20/h7-10H,4-6,11-14H2,1-3H3,(H,21,22,25).
What are the key properties of 4-[butyl(ethyl)sulfamoyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
4-[butyl(ethyl)sulfamoyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide has a molecular weight of 436.60 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(ethyl)sulfamoyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide is sourced from PubChem (CID 26841074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).