N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpropylsulfamoyl)benzamide

C15H20N4O3S2 — CID 645867

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpropylsulfamoyl)benzamide
SMILESCCc1nnc(NC(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)s1
InChIInChI=1S/C15H20N4O3S2/c1-4-13-18-19-15(23-13)17-14(20)11-5-7-12(8-6-11)24(21,22)16-9-10(2)3/h5-8,10,16H,4,9H2,1-3H3,(H,17,19,20)
InChIKeyQOFAFQIMGLAAGV-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.29
Rot. Bonds7

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpropylsulfamoyl)benzamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpropylsulfamoyl)benzamide (PubChem CID 645867) has the molecular formula C15H20N4O3S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpropylsulfamoyl)benzamide
PubChem CID645867
Molecular FormulaC15H20N4O3S2
Molecular Weight368.48 g/mol
Exact Mass368.10
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpropylsulfamoyl)benzamide
SMILESCCc1nnc(NC(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)s1
InChIInChI=1S/C15H20N4O3S2/c1-4-13-18-19-15(23-13)17-14(20)11-5-7-12(8-6-11)24(21,22)16-9-10(2)3/h5-8,10,16H,4,9H2,1-3H3,(H,17,19,20)
InChIKeyQOFAFQIMGLAAGV-UHFFFAOYSA-N
XLogP2.29
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2210290
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 1547913
4-(difluoromethylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2444277
N-(5-Ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 569586
4-Cyclohexylsulfamoyl-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 646755
4-(4-Benzyl-piperazine-1-sulfonyl)-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 650132
4-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 745411
2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 975236
3-(diethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1117931
2-Chloro-5-diethylsulfamoyl-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 1117935
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[(dimethylamino)sulfonyl]benzamide
CID 1262875
2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 1317186

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpropylsulfamoyl)benzamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpropylsulfamoyl)benzamide (CID 645867) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpropylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpropylsulfamoyl)benzamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpropylsulfamoyl)benzamide is CCc1nnc(NC(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpropylsulfamoyl)benzamide?
The InChIKey is QOFAFQIMGLAAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S2/c1-4-13-18-19-15(23-13)17-14(20)11-5-7-12(8-6-11)24(21,22)16-9-10(2)3/h5-8,10,16H,4,9H2,1-3H3,(H,17,19,20).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpropylsulfamoyl)benzamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpropylsulfamoyl)benzamide has a molecular weight of 368.48 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpropylsulfamoyl)benzamide is sourced from PubChem (CID 645867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).