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

C13H16N4O3S2 — CID 750640

IUPACN-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C(C)C)s2)cc1
InChIInChI=1S/C13H16N4O3S2/c1-8(2)12-15-16-13(21-12)17-22(19,20)11-6-4-10(5-7-11)14-9(3)18/h4-8H,1-3H3,(H,14,18)(H,16,17)
InChIKeyMXCPKDVMNOEVNT-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.42
Rot. Bonds5

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

N-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 750640) has the molecular formula C13H16N4O3S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID750640
Molecular FormulaC13H16N4O3S2
Molecular Weight340.43 g/mol
Exact Mass340.07
IUPAC NameN-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C(C)C)s2)cc1
InChIInChI=1S/C13H16N4O3S2/c1-8(2)12-15-16-13(21-12)17-22(19,20)11-6-4-10(5-7-11)14-9(3)18/h4-8H,1-3H3,(H,14,18)(H,16,17)
InChIKeyMXCPKDVMNOEVNT-UHFFFAOYSA-N
XLogP2.42
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 5328
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Glyprothiazol
CID 66458
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
(E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-phenylprop-2-enamide
CID 1822015
(2E)-N-(4-{[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]sulfonyl}phenyl)-3-(4-fluorophenyl)acrylamide
CID 6246323
N-(4-(((5-Methyl-1,3,4-thiadiazol-2-yl)amino)sulphonyl)phenyl)acetamide
CID 791566
N-(4-(((5-Ethyl-1,3,4-thiadiazol-2-yl)amino)sulfonyl)phenyl)acetamide
CID 745569

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide (CID 750640) is N-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C(C)C)s2)cc1.
What is the InChIKey of N-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is MXCPKDVMNOEVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S2/c1-8(2)12-15-16-13(21-12)17-22(19,20)11-6-4-10(5-7-11)14-9(3)18/h4-8H,1-3H3,(H,14,18)(H,16,17).
What are the key properties of N-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 340.43 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 750640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).