(2S)-N-(2-phenylsulfanylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide

C22H19N5O2S — CID 9292348

IUPAC(2S)-N-(2-phenylsulfanylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide
SMILESC[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C22H19N5O2S/c1-16(29-18-13-11-17(12-14-18)27-15-23-25-26-27)22(28)24-20-9-5-6-10-21(20)30-19-7-3-2-4-8-19/h2-16H,1H3,(H,24,28)/t16-/m0/s1
InChIKeyZRMSYWPZJAUYJX-INIZCTEOSA-N
MW417.49 g/mol
LogP4.22
Rot. Bonds7

About (2S)-N-(2-phenylsulfanylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide

(2S)-N-(2-phenylsulfanylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide (PubChem CID 9292348) has the molecular formula C22H19N5O2S and a molecular weight of 417.49 g/mol. Its IUPAC name is (2S)-N-(2-phenylsulfanylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-phenylsulfanylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide
PubChem CID9292348
Molecular FormulaC22H19N5O2S
Molecular Weight417.49 g/mol
Exact Mass417.13
IUPAC Name(2S)-N-(2-phenylsulfanylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide
SMILESC[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C22H19N5O2S/c1-16(29-18-13-11-17(12-14-18)27-15-23-25-26-27)22(28)24-20-9-5-6-10-21(20)30-19-7-3-2-4-8-19/h2-16H,1H3,(H,24,28)/t16-/m0/s1
InChIKeyZRMSYWPZJAUYJX-INIZCTEOSA-N
XLogP4.22
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]propanamide
CID 46633898
2-[4-(tetrazol-1-yl)phenoxy]propanoic acid
CID 6485344
N-(4-acetylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide
CID 42903595
(2S)-N-phenyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705759
N-(2-methoxydibenzofuran-3-yl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide
CID 47004283
[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 8953144
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 7500748
N-cycloheptyl-2-[4-(tetrazol-1-yl)phenoxy]propanamide
CID 46633897
N-(2-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465229
4-[[[(2S)-2-[4-(tetrazol-1-yl)phenoxy]propanoyl]amino]methyl]benzoic acid
CID 35330055
4-[[2-[4-(tetrazol-1-yl)phenoxy]propanoylamino]methyl]benzoic acid
CID 45148199
N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 91204947

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-phenylsulfanylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide?
The IUPAC name of (2S)-N-(2-phenylsulfanylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide (CID 9292348) is (2S)-N-(2-phenylsulfanylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide.
What is the SMILES notation for (2S)-N-(2-phenylsulfanylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide?
The canonical SMILES for (2S)-N-(2-phenylsulfanylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide is C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of (2S)-N-(2-phenylsulfanylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide?
The InChIKey is ZRMSYWPZJAUYJX-INIZCTEOSA-N. The full InChI is InChI=1S/C22H19N5O2S/c1-16(29-18-13-11-17(12-14-18)27-15-23-25-26-27)22(28)24-20-9-5-6-10-21(20)30-19-7-3-2-4-8-19/h2-16H,1H3,(H,24,28)/t16-/m0/s1.
What are the key properties of (2S)-N-(2-phenylsulfanylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide?
(2S)-N-(2-phenylsulfanylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide has a molecular weight of 417.49 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-phenylsulfanylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide is sourced from PubChem (CID 9292348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).