2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide

C19H21N5O2S — CID 2524493

IUPAC2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)CSc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C19H21N5O2S/c1-14(7-8-15-5-3-2-4-6-15)20-18(26)13-27-19-21-22-23-24(19)16-9-11-17(25)12-10-16/h2-6,9-12,14,25H,7-8,13H2,1H3,(H,20,26)/t14-/m0/s1
InChIKeyJTWGQRWOGHKMHB-AWEZNQCLSA-N
MW383.48 g/mol
LogP2.60
Rot. Bonds8

About 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide

2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide (PubChem CID 2524493) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide
PubChem CID2524493
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)CSc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C19H21N5O2S/c1-14(7-8-15-5-3-2-4-6-15)20-18(26)13-27-19-21-22-23-24(19)16-9-11-17(25)12-10-16/h2-6,9-12,14,25H,7-8,13H2,1H3,(H,20,26)/t14-/m0/s1
InChIKeyJTWGQRWOGHKMHB-AWEZNQCLSA-N
XLogP2.60
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-phenylbutan-2-yl)acetamide
CID 16539106
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 18076417
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2R)-6-methylheptan-2-yl]acetamide
CID 9073912
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8793054
N-[(2S)-5-methylhexan-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8684772
3-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
CID 51126582
N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8659020
N-(6-methylheptan-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 55398072
N-(1,2-diphenylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 46813778
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2R)-pentan-2-yl]acetamide
CID 2696351
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 7757116
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide
CID 42902692

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide (CID 2524493) is 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide is C[C@@H](CCc1ccccc1)NC(=O)CSc1nnnn1-c1ccc(O)cc1.
What is the InChIKey of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The InChIKey is JTWGQRWOGHKMHB-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-14(7-8-15-5-3-2-4-6-15)20-18(26)13-27-19-21-22-23-24(19)16-9-11-17(25)12-10-16/h2-6,9-12,14,25H,7-8,13H2,1H3,(H,20,26)/t14-/m0/s1.
What are the key properties of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide?
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide has a molecular weight of 383.48 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 2524493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).