N-[1-(2,4-dichlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide

C13H15Cl2N5OS — CID 4880273

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCC(Sc1nnnn1C)C(=O)NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N5OS/c1-7(10-5-4-9(14)6-11(10)15)16-12(21)8(2)22-13-17-18-19-20(13)3/h4-8H,1-3H3,(H,16,21)
InChIKeyNGAABHAEAAIGCJ-UHFFFAOYSA-N
MW360.27 g/mol
LogP2.87
Rot. Bonds5

About N-[1-(2,4-dichlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide

N-[1-(2,4-dichlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 4880273) has the molecular formula C13H15Cl2N5OS and a molecular weight of 360.27 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
PubChem CID4880273
Molecular FormulaC13H15Cl2N5OS
Molecular Weight360.27 g/mol
Exact Mass359.04
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCC(Sc1nnnn1C)C(=O)NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N5OS/c1-7(10-5-4-9(14)6-11(10)15)16-12(21)8(2)22-13-17-18-19-20(13)3/h4-8H,1-3H3,(H,16,21)
InChIKeyNGAABHAEAAIGCJ-UHFFFAOYSA-N
XLogP2.87
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide (CID 4880273) is N-[1-(2,4-dichlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide is CC(Sc1nnnn1C)C(=O)NC(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is NGAABHAEAAIGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N5OS/c1-7(10-5-4-9(14)6-11(10)15)16-12(21)8(2)22-13-17-18-19-20(13)3/h4-8H,1-3H3,(H,16,21).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
N-[1-(2,4-dichlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 360.27 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 4880273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).