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

C16H20N4O3S2 — CID 652436

IUPACN-[4-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)cc1
InChIInChI=1S/C16H20N4O3S2/c1-11(21)17-13-7-9-14(10-8-13)25(22,23)20-16-19-18-15(24-16)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,17,21)(H,19,20)
InChIKeyDJVQTFBSCFXOOD-UHFFFAOYSA-N
MW380.50 g/mol
LogP3.35
Rot. Bonds5

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

N-[4-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 652436) has the molecular formula C16H20N4O3S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-[4-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID652436
Molecular FormulaC16H20N4O3S2
Molecular Weight380.50 g/mol
Exact Mass380.10
IUPAC NameN-[4-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)cc1
InChIInChI=1S/C16H20N4O3S2/c1-11(21)17-13-7-9-14(10-8-13)25(22,23)20-16-19-18-15(24-16)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,17,21)(H,19,20)
InChIKeyDJVQTFBSCFXOOD-UHFFFAOYSA-N
XLogP3.35
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide (CID 652436) is N-[4-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)cc1.
What is the InChIKey of N-[4-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is DJVQTFBSCFXOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S2/c1-11(21)17-13-7-9-14(10-8-13)25(22,23)20-16-19-18-15(24-16)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,17,21)(H,19,20).
What are the key properties of N-[4-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 380.50 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 652436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).