N-[3-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyltetrazol-1-yl]phenyl]propanamide

C17H22N6O2S — CID 1455218

IUPACN-[3-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyltetrazol-1-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-n2nnnc2SCC(=O)N2CCCCC2)c1
InChIInChI=1S/C17H22N6O2S/c1-2-15(24)18-13-7-6-8-14(11-13)23-17(19-20-21-23)26-12-16(25)22-9-4-3-5-10-22/h6-8,11H,2-5,9-10,12H2,1H3,(H,18,24)
InChIKeyNWWIOLKHODNAAP-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.12
Rot. Bonds6

About N-[3-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyltetrazol-1-yl]phenyl]propanamide

N-[3-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyltetrazol-1-yl]phenyl]propanamide (PubChem CID 1455218) has the molecular formula C17H22N6O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[3-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyltetrazol-1-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyltetrazol-1-yl]phenyl]propanamide
PubChem CID1455218
Molecular FormulaC17H22N6O2S
Molecular Weight374.47 g/mol
Exact Mass374.15
IUPAC NameN-[3-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyltetrazol-1-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-n2nnnc2SCC(=O)N2CCCCC2)c1
InChIInChI=1S/C17H22N6O2S/c1-2-15(24)18-13-7-6-8-14(11-13)23-17(19-20-21-23)26-12-16(25)22-9-4-3-5-10-22/h6-8,11H,2-5,9-10,12H2,1H3,(H,18,24)
InChIKeyNWWIOLKHODNAAP-UHFFFAOYSA-N
XLogP2.12
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyltetrazol-1-yl]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyltetrazol-1-yl]phenyl]propanamide?
The IUPAC name of N-[3-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyltetrazol-1-yl]phenyl]propanamide (CID 1455218) is N-[3-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyltetrazol-1-yl]phenyl]propanamide.
What is the SMILES notation for N-[3-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyltetrazol-1-yl]phenyl]propanamide?
The canonical SMILES for N-[3-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyltetrazol-1-yl]phenyl]propanamide is CCC(=O)Nc1cccc(-n2nnnc2SCC(=O)N2CCCCC2)c1.
What is the InChIKey of N-[3-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyltetrazol-1-yl]phenyl]propanamide?
The InChIKey is NWWIOLKHODNAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2S/c1-2-15(24)18-13-7-6-8-14(11-13)23-17(19-20-21-23)26-12-16(25)22-9-4-3-5-10-22/h6-8,11H,2-5,9-10,12H2,1H3,(H,18,24).
What are the key properties of N-[3-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyltetrazol-1-yl]phenyl]propanamide?
N-[3-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyltetrazol-1-yl]phenyl]propanamide has a molecular weight of 374.47 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyltetrazol-1-yl]phenyl]propanamide is sourced from PubChem (CID 1455218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).