N-[3-(2-oxo-2-piperidin-1-ylethyl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide

C18H24N4O3S2 — CID 22028015

IUPACN-[3-(2-oxo-2-piperidin-1-ylethyl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2nc(CC(=O)N3CCCCC3)ns2)cc1
InChIInChI=1S/C18H24N4O3S2/c1-2-6-14-7-9-15(10-8-14)27(24,25)21-18-19-16(20-26-18)13-17(23)22-11-4-3-5-12-22/h7-10H,2-6,11-13H2,1H3,(H,19,20,21)
InChIKeyGXRPGWCNXSFBNL-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.85
Rot. Bonds7

About N-[3-(2-oxo-2-piperidin-1-ylethyl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide

N-[3-(2-oxo-2-piperidin-1-ylethyl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide (PubChem CID 22028015) has the molecular formula C18H24N4O3S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[3-(2-oxo-2-piperidin-1-ylethyl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-oxo-2-piperidin-1-ylethyl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide
PubChem CID22028015
Molecular FormulaC18H24N4O3S2
Molecular Weight408.55 g/mol
Exact Mass408.13
IUPAC NameN-[3-(2-oxo-2-piperidin-1-ylethyl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2nc(CC(=O)N3CCCCC3)ns2)cc1
InChIInChI=1S/C18H24N4O3S2/c1-2-6-14-7-9-15(10-8-14)27(24,25)21-18-19-16(20-26-18)13-17(23)22-11-4-3-5-12-22/h7-10H,2-6,11-13H2,1H3,(H,19,20,21)
InChIKeyGXRPGWCNXSFBNL-UHFFFAOYSA-N
XLogP2.85
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2-oxo-2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]-4-propylbenzenesulfonamide
CID 10216285
N-[5-(2-oxo-2-thiomorpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-4-propylbenzenesulfonamide
CID 10224344
N-[5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]-4-propylbenzenesulfonamide
CID 11373211
4-(3,4-dichlorophenyl)-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
CID 22028078
N-[4-(piperidine-1-carbonyl)phenyl]-4-propylbenzenesulfonamide
CID 22203693
N-[3-[4-[[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]sulfamoyl]phenyl]phenyl]acetamide
CID 22027960
N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide
CID 22027898
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-propylbenzenesulfonamide
CID 3414696
2-[5-methyl-2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87545585
N-[5-[(4-propylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 20971949
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 112696077
1-[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 16827166

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxo-2-piperidin-1-ylethyl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[3-(2-oxo-2-piperidin-1-ylethyl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide (CID 22028015) is N-[3-(2-oxo-2-piperidin-1-ylethyl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[3-(2-oxo-2-piperidin-1-ylethyl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[3-(2-oxo-2-piperidin-1-ylethyl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2nc(CC(=O)N3CCCCC3)ns2)cc1.
What is the InChIKey of N-[3-(2-oxo-2-piperidin-1-ylethyl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide?
The InChIKey is GXRPGWCNXSFBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S2/c1-2-6-14-7-9-15(10-8-14)27(24,25)21-18-19-16(20-26-18)13-17(23)22-11-4-3-5-12-22/h7-10H,2-6,11-13H2,1H3,(H,19,20,21).
What are the key properties of N-[3-(2-oxo-2-piperidin-1-ylethyl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide?
N-[3-(2-oxo-2-piperidin-1-ylethyl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide has a molecular weight of 408.55 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxo-2-piperidin-1-ylethyl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 22028015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).