(2R)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide

C17H17N5O2S — CID 7474072

IUPAC(2R)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide
SMILESC[C@@H](Sc1nnnn1-c1ccc(O)cc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C17H17N5O2S/c1-12(16(24)21(2)13-6-4-3-5-7-13)25-17-18-19-20-22(17)14-8-10-15(23)11-9-14/h3-12,23H,1-2H3/t12-/m1/s1
InChIKeyNIQRLSRPBKZBGG-GFCCVEGCSA-N
MW355.42 g/mol
LogP2.51
Rot. Bonds5

About (2R)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide

(2R)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide (PubChem CID 7474072) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is (2R)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide
PubChem CID7474072
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name(2R)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide
SMILESC[C@@H](Sc1nnnn1-c1ccc(O)cc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C17H17N5O2S/c1-12(16(24)21(2)13-6-4-3-5-7-13)25-17-18-19-20-22(17)14-8-10-15(23)11-9-14/h3-12,23H,1-2H3/t12-/m1/s1
InChIKeyNIQRLSRPBKZBGG-GFCCVEGCSA-N
XLogP2.51
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 17398164
(2R)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide
CID 7365414
(2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide
CID 8797844
N'-[(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanoyl]benzohydrazide
CID 8953217
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(1-phenylcyclopropyl)propan-1-one
CID 154838077
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylpropanamide
CID 41312485
(2S)-N,N-dimethyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 8915829
(2S)-N-[(3-fluorophenyl)methyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylpropanamide
CID 8537183
(2R)-N-(2-cyanoethyl)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 7762387
methyl 3-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2-methylbutanoate
CID 79398462
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)propanamide
CID 7474000
(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2621223

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide?
The IUPAC name of (2R)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide (CID 7474072) is (2R)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide?
The canonical SMILES for (2R)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide is C[C@@H](Sc1nnnn1-c1ccc(O)cc1)C(=O)N(C)c1ccccc1.
What is the InChIKey of (2R)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide?
The InChIKey is NIQRLSRPBKZBGG-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-12(16(24)21(2)13-6-4-3-5-7-13)25-17-18-19-20-22(17)14-8-10-15(23)11-9-14/h3-12,23H,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide?
(2R)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide has a molecular weight of 355.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 7474072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).