N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide

C17H16N4O3S2 — CID 1069388

IUPACN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)s1
InChIInChI=1S/C17H16N4O3S2/c1-2-15-19-20-17(25-15)21-26(23,24)14-10-8-13(9-11-14)18-16(22)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,18,22)(H,20,21)
InChIKeyRIXDXDJYMYXHBD-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.15
Rot. Bonds6

About N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide

N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide (PubChem CID 1069388) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
PubChem CID1069388
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC NameN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)s1
InChIInChI=1S/C17H16N4O3S2/c1-2-15-19-20-17(25-15)21-26(23,24)14-10-8-13(9-11-14)18-16(22)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,18,22)(H,20,21)
InChIKeyRIXDXDJYMYXHBD-UHFFFAOYSA-N
XLogP3.15
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.15
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-(4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)-1-naphthamide
CID 1187414
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[methyl(phenylsulfonyl)amino]benzamide
CID 1309961
TG6-129
CID 1987175
N-[4-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 652436
N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]-sulfanylidenemethyl]benzamide
CID 1615340
N-[4-(5-Isopropyl-[1,3,4]thiadiazol-2-ylsulfamoyl)-phenyl]-acetamide
CID 750640
N-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide
CID 1077798
(E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-phenylprop-2-enamide
CID 1822015
N-{[(4-{[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]sulfonyl}phenyl)amino]carbonothioyl}-3-(4-isopropylphenyl)acrylamide
CID 2247463
4-chloro-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}benzamide
CID 4014636
(2E)-N-(4-{[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]sulfonyl}phenyl)-3-(4-fluorophenyl)acrylamide
CID 6246323

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide (CID 1069388) is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide is CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)s1.
What is the InChIKey of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is RIXDXDJYMYXHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c1-2-15-19-20-17(25-15)21-26(23,24)14-10-8-13(9-11-14)18-16(22)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,18,22)(H,20,21).
What are the key properties of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide?
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 388.47 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 1069388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).