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

C12H14N4O3S2 — CID 745569

IUPACN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)s1
InChIInChI=1S/C12H14N4O3S2/c1-3-11-14-15-12(20-11)16-21(18,19)10-6-4-9(5-7-10)13-8(2)17/h4-7H,3H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyUPRXAKRITNJEII-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.86
Rot. Bonds5

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

N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 745569) has the molecular formula C12H14N4O3S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID745569
Molecular FormulaC12H14N4O3S2
Molecular Weight326.40 g/mol
Exact Mass326.05
IUPAC NameN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)s1
InChIInChI=1S/C12H14N4O3S2/c1-3-11-14-15-12(20-11)16-21(18,19)10-6-4-9(5-7-10)13-8(2)17/h4-7H,3H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyUPRXAKRITNJEII-UHFFFAOYSA-N
XLogP1.86
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 5328
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5-(4-Acetamido-3-fluorobenzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide
CID 11047521
N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 395815
5-(4-Acetamido-3-iodobenzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide
CID 11103137
N-[4-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 652436
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-phenylacetamide
CID 1860187
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
1-[4-[(5-Ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)thiourea
CID 1632077

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide (CID 745569) is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide is CCc1nnc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)s1.
What is the InChIKey of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is UPRXAKRITNJEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S2/c1-3-11-14-15-12(20-11)16-21(18,19)10-6-4-9(5-7-10)13-8(2)17/h4-7H,3H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 326.40 g/mol, XLogP of 1.86, 5 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]acetamide is sourced from PubChem (CID 745569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).