(2R)-N-[2-(difluoromethoxy)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide

C17H15F2N5O2S — CID 9274459

IUPAC(2R)-N-[2-(difluoromethoxy)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESC[C@@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C17H15F2N5O2S/c1-11(15(25)20-13-9-5-6-10-14(13)26-16(18)19)27-17-21-22-23-24(17)12-7-3-2-4-8-12/h2-11,16H,1H3,(H,20,25)/t11-/m1/s1
InChIKeyIEJJAVSOJFHRTQ-LLVKDONJSA-N
MW391.40 g/mol
LogP3.38
Rot. Bonds7

About (2R)-N-[2-(difluoromethoxy)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide

(2R)-N-[2-(difluoromethoxy)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 9274459) has the molecular formula C17H15F2N5O2S and a molecular weight of 391.40 g/mol. Its IUPAC name is (2R)-N-[2-(difluoromethoxy)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[2-(difluoromethoxy)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
PubChem CID9274459
Molecular FormulaC17H15F2N5O2S
Molecular Weight391.40 g/mol
Exact Mass391.09
IUPAC Name(2R)-N-[2-(difluoromethoxy)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESC[C@@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C17H15F2N5O2S/c1-11(15(25)20-13-9-5-6-10-14(13)26-16(18)19)27-17-21-22-23-24(17)12-7-3-2-4-8-12/h2-11,16H,1H3,(H,20,25)/t11-/m1/s1
InChIKeyIEJJAVSOJFHRTQ-LLVKDONJSA-N
XLogP3.38
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide
CID 51270329
(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2621223
(2R)-N-(2-ethoxyphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7464651
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(2-ethoxyphenyl)propanamide
CID 112773571
N-[2-(difluoromethoxy)phenyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylpropanamide
CID 24519891
N-[2-(difluoromethoxy)phenyl]-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 46620415
N-(4-phenoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 3574174
(2S)-N-(4-phenoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2586128
(2S)-N-(4-bromophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 7762355
N-(3-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 46619617
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 43025838
(2R)-2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 42108952

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(difluoromethoxy)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-[2-(difluoromethoxy)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (CID 9274459) is (2R)-N-[2-(difluoromethoxy)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-[2-(difluoromethoxy)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-[2-(difluoromethoxy)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is C[C@@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of (2R)-N-[2-(difluoromethoxy)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is IEJJAVSOJFHRTQ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15F2N5O2S/c1-11(15(25)20-13-9-5-6-10-14(13)26-16(18)19)27-17-21-22-23-24(17)12-7-3-2-4-8-12/h2-11,16H,1H3,(H,20,25)/t11-/m1/s1.
What are the key properties of (2R)-N-[2-(difluoromethoxy)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
(2R)-N-[2-(difluoromethoxy)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 391.40 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(difluoromethoxy)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 9274459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).