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

C15H20N4O4S2 — CID 67039197

IUPACN-[4-acetyl-5-[2-(methanesulfonamido)ethyl]-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(CCNS(C)(=O)=O)(c2ccccc2)S1
InChIInChI=1S/C15H20N4O4S2/c1-11(20)17-14-18-19(12(2)21)15(24-14,9-10-16-25(3,22)23)13-7-5-4-6-8-13/h4-8,16H,9-10H2,1-3H3,(H,17,18,20)
InChIKeyFAUWAXJOEHIQLU-UHFFFAOYSA-N
MW384.48 g/mol
LogP0.78
Rot. Bonds5

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

N-[4-acetyl-5-[2-(methanesulfonamido)ethyl]-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 67039197) has the molecular formula C15H20N4O4S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[4-acetyl-5-[2-(methanesulfonamido)ethyl]-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-acetyl-5-[2-(methanesulfonamido)ethyl]-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID67039197
Molecular FormulaC15H20N4O4S2
Molecular Weight384.48 g/mol
Exact Mass384.09
IUPAC NameN-[4-acetyl-5-[2-(methanesulfonamido)ethyl]-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(CCNS(C)(=O)=O)(c2ccccc2)S1
InChIInChI=1S/C15H20N4O4S2/c1-11(20)17-14-18-19(12(2)21)15(24-14,9-10-16-25(3,22)23)13-7-5-4-6-8-13/h4-8,16H,9-10H2,1-3H3,(H,17,18,20)
InChIKeyFAUWAXJOEHIQLU-UHFFFAOYSA-N
XLogP0.78
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-acetyl-5-[2-(methanesulfonamido)ethyl]-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[4-acetyl-5-[2-(methanesulfonamido)ethyl]-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide (CID 67039197) is N-[4-acetyl-5-[2-(methanesulfonamido)ethyl]-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-acetyl-5-[2-(methanesulfonamido)ethyl]-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[4-acetyl-5-[2-(methanesulfonamido)ethyl]-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)NC1=NN(C(C)=O)C(CCNS(C)(=O)=O)(c2ccccc2)S1.
What is the InChIKey of N-[4-acetyl-5-[2-(methanesulfonamido)ethyl]-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is FAUWAXJOEHIQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S2/c1-11(20)17-14-18-19(12(2)21)15(24-14,9-10-16-25(3,22)23)13-7-5-4-6-8-13/h4-8,16H,9-10H2,1-3H3,(H,17,18,20).
What are the key properties of N-[4-acetyl-5-[2-(methanesulfonamido)ethyl]-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide?
N-[4-acetyl-5-[2-(methanesulfonamido)ethyl]-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 384.48 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetyl-5-[2-(methanesulfonamido)ethyl]-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 67039197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).