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

C18H24N4O4S2 — CID 11858428

IUPACN-[2-[3-acetyl-5-(2-oxopiperidin-1-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethyl]methanesulfonamide
SMILESCC(=O)N1N=C(N2CCCCC2=O)SC1(CCNS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C18H24N4O4S2/c1-14(23)22-18(11-12-19-28(2,25)26,15-8-4-3-5-9-15)27-17(20-22)21-13-7-6-10-16(21)24/h3-5,8-9,19H,6-7,10-13H2,1-2H3
InChIKeyDEVDLNLHFURFBJ-UHFFFAOYSA-N
MW424.55 g/mol
LogP1.66
Rot. Bonds5

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

N-[2-[3-acetyl-5-(2-oxopiperidin-1-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethyl]methanesulfonamide (PubChem CID 11858428) has the molecular formula C18H24N4O4S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[2-[3-acetyl-5-(2-oxopiperidin-1-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-acetyl-5-(2-oxopiperidin-1-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethyl]methanesulfonamide
PubChem CID11858428
Molecular FormulaC18H24N4O4S2
Molecular Weight424.55 g/mol
Exact Mass424.12
IUPAC NameN-[2-[3-acetyl-5-(2-oxopiperidin-1-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethyl]methanesulfonamide
SMILESCC(=O)N1N=C(N2CCCCC2=O)SC1(CCNS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C18H24N4O4S2/c1-14(23)22-18(11-12-19-28(2,25)26,15-8-4-3-5-9-15)27-17(20-22)21-13-7-6-10-16(21)24/h3-5,8-9,19H,6-7,10-13H2,1-2H3
InChIKeyDEVDLNLHFURFBJ-UHFFFAOYSA-N
XLogP1.66
TPSA99.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-acetyl-5-(2-oxopiperidin-1-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[3-acetyl-5-(2-oxopiperidin-1-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethyl]methanesulfonamide (CID 11858428) is N-[2-[3-acetyl-5-(2-oxopiperidin-1-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[3-acetyl-5-(2-oxopiperidin-1-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[3-acetyl-5-(2-oxopiperidin-1-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethyl]methanesulfonamide is CC(=O)N1N=C(N2CCCCC2=O)SC1(CCNS(C)(=O)=O)c1ccccc1.
What is the InChIKey of N-[2-[3-acetyl-5-(2-oxopiperidin-1-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethyl]methanesulfonamide?
The InChIKey is DEVDLNLHFURFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S2/c1-14(23)22-18(11-12-19-28(2,25)26,15-8-4-3-5-9-15)27-17(20-22)21-13-7-6-10-16(21)24/h3-5,8-9,19H,6-7,10-13H2,1-2H3.
What are the key properties of N-[2-[3-acetyl-5-(2-oxopiperidin-1-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethyl]methanesulfonamide?
N-[2-[3-acetyl-5-(2-oxopiperidin-1-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethyl]methanesulfonamide has a molecular weight of 424.55 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-acetyl-5-(2-oxopiperidin-1-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 11858428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).