N-(4-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide

C13H16ClN5OS — CID 51245310

IUPACN-(4-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
SMILESCC(Sc1nnnn1C(C)C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN5OS/c1-8(2)19-13(16-17-18-19)21-9(3)12(20)15-11-6-4-10(14)5-7-11/h4-9H,1-3H3,(H,15,20)
InChIKeyJHTKROIVBZYTEH-UHFFFAOYSA-N
MW325.83 g/mol
LogP3.03
Rot. Bonds5

About N-(4-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide

N-(4-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide (PubChem CID 51245310) has the molecular formula C13H16ClN5OS and a molecular weight of 325.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
PubChem CID51245310
Molecular FormulaC13H16ClN5OS
Molecular Weight325.83 g/mol
Exact Mass325.08
IUPAC NameN-(4-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
SMILESCC(Sc1nnnn1C(C)C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN5OS/c1-8(2)19-13(16-17-18-19)21-9(3)12(20)15-11-6-4-10(14)5-7-11/h4-9H,1-3H3,(H,15,20)
InChIKeyJHTKROIVBZYTEH-UHFFFAOYSA-N
XLogP3.03
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.83
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 26006001
(2R)-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 26006002
N-(3-chloro-4-cyanophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
CID 24520288
N-(4-acetylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 42963660
N-(4-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 18776191
N-(phenylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
CID 46682398
(2R)-N-(4-chlorophenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7661558
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 42974601
2-(4-chlorophenyl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 4881594
(2S)-N-tert-butyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
CID 41273581
N-(4-chlorophenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 46640350
(2S)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 8859040

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-(4-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide (CID 51245310) is N-(4-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide is CC(Sc1nnnn1C(C)C)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is JHTKROIVBZYTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5OS/c1-8(2)19-13(16-17-18-19)21-9(3)12(20)15-11-6-4-10(14)5-7-11/h4-9H,1-3H3,(H,15,20).
What are the key properties of N-(4-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide?
N-(4-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 325.83 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 51245310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).