(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-cyanophenyl)propanamide

C17H13ClN6OS — CID 8859328

IUPAC(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-cyanophenyl)propanamide
SMILESC[C@@H](Sc1nnnn1-c1cccc(Cl)c1)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C17H13ClN6OS/c1-11(16(25)20-14-7-5-12(10-19)6-8-14)26-17-21-22-23-24(17)15-4-2-3-13(18)9-15/h2-9,11H,1H3,(H,20,25)/t11-/m1/s1
InChIKeyZSPIQNWRGGMKDN-LLVKDONJSA-N
MW384.85 g/mol
LogP3.31
Rot. Bonds5

About (2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-cyanophenyl)propanamide

(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-cyanophenyl)propanamide (PubChem CID 8859328) has the molecular formula C17H13ClN6OS and a molecular weight of 384.85 g/mol. Its IUPAC name is (2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-cyanophenyl)propanamide
PubChem CID8859328
Molecular FormulaC17H13ClN6OS
Molecular Weight384.85 g/mol
Exact Mass384.06
IUPAC Name(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-cyanophenyl)propanamide
SMILESC[C@@H](Sc1nnnn1-c1cccc(Cl)c1)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C17H13ClN6OS/c1-11(16(25)20-14-7-5-12(10-19)6-8-14)26-17-21-22-23-24(17)15-4-2-3-13(18)9-15/h2-9,11H,1H3,(H,20,25)/t11-/m1/s1
InChIKeyZSPIQNWRGGMKDN-LLVKDONJSA-N
XLogP3.31
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 8859040
(2R)-N-(4-cyanophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9407792
(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyanophenyl)propanamide
CID 8859071
N-(4-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 18776191
(2S)-N-(3-chlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7473969
(2R)-N-(4-chlorophenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7661558
(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2621223
N-(4-cyanophenyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16554861
(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)propanamide
CID 9061759
N-(3,4-difluorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 24500453
(2S)-N-(3-chloro-4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 9274422
N-(3-chloro-4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 51233864

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-cyanophenyl)propanamide?
The IUPAC name of (2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-cyanophenyl)propanamide (CID 8859328) is (2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for (2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-cyanophenyl)propanamide?
The canonical SMILES for (2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-cyanophenyl)propanamide is C[C@@H](Sc1nnnn1-c1cccc(Cl)c1)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of (2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-cyanophenyl)propanamide?
The InChIKey is ZSPIQNWRGGMKDN-LLVKDONJSA-N. The full InChI is InChI=1S/C17H13ClN6OS/c1-11(16(25)20-14-7-5-12(10-19)6-8-14)26-17-21-22-23-24(17)15-4-2-3-13(18)9-15/h2-9,11H,1H3,(H,20,25)/t11-/m1/s1.
What are the key properties of (2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-cyanophenyl)propanamide?
(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-cyanophenyl)propanamide has a molecular weight of 384.85 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-cyanophenyl)propanamide is sourced from PubChem (CID 8859328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).