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

C17H13ClN6OS — CID 8859071

IUPAC(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyanophenyl)propanamide
SMILESC[C@@H](Sc1nnnn1-c1cccc(Cl)c1)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C17H13ClN6OS/c1-11(16(25)20-15-8-3-2-5-12(15)10-19)26-17-21-22-23-24(17)14-7-4-6-13(18)9-14/h2-9,11H,1H3,(H,20,25)/t11-/m1/s1
InChIKeyNSFULBNSXYCZAR-LLVKDONJSA-N
MW384.85 g/mol
LogP3.31
Rot. Bonds5

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

(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyanophenyl)propanamide (PubChem CID 8859071) 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-(2-cyanophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyanophenyl)propanamide
PubChem CID8859071
Molecular FormulaC17H13ClN6OS
Molecular Weight384.85 g/mol
Exact Mass384.06
IUPAC Name(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyanophenyl)propanamide
SMILESC[C@@H](Sc1nnnn1-c1cccc(Cl)c1)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C17H13ClN6OS/c1-11(16(25)20-15-8-3-2-5-12(15)10-19)26-17-21-22-23-24(17)14-7-4-6-13(18)9-14/h2-9,11H,1H3,(H,20,25)/t11-/m1/s1
InChIKeyNSFULBNSXYCZAR-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

(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-cyanophenyl)propanamide
CID 8859328
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CID 2618684
(2S)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 8859040
N-(2-cyanophenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide
CID 43029466
(2S)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(2-cyanophenyl)propanamide
CID 9381473
(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)propanamide
CID 9061759
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide
CID 16535787
(2S)-N-(2-chlorophenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9382865
(2S)-1-(3-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
CID 2121300
N-(2-cyanophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
CID 46642061
(2S)-N-(3-chlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7473969
(2S)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N,N-dimethylpropanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyanophenyl)propanamide?
The IUPAC name of (2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyanophenyl)propanamide (CID 8859071) is (2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyanophenyl)propanamide.
What is the SMILES notation for (2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyanophenyl)propanamide?
The canonical SMILES for (2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyanophenyl)propanamide is C[C@@H](Sc1nnnn1-c1cccc(Cl)c1)C(=O)Nc1ccccc1C#N.
What is the InChIKey of (2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyanophenyl)propanamide?
The InChIKey is NSFULBNSXYCZAR-LLVKDONJSA-N. The full InChI is InChI=1S/C17H13ClN6OS/c1-11(16(25)20-15-8-3-2-5-12(15)10-19)26-17-21-22-23-24(17)14-7-4-6-13(18)9-14/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-(2-cyanophenyl)propanamide?
(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-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-(2-cyanophenyl)propanamide is sourced from PubChem (CID 8859071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).