N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide

C22H25N5O2S — CID 8659020

IUPACN-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnnn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C22H25N5O2S/c1-15(2)18-9-11-19(12-10-18)27-22(24-25-26-27)30-14-21(29)23-20(16(3)28)13-17-7-5-4-6-8-17/h4-12,15,20H,13-14H2,1-3H3,(H,23,29)/t20-/m0/s1
InChIKeyIERIIBFQJMBPDL-FQEVSTJZSA-N
MW423.54 g/mol
LogP3.19
Rot. Bonds9

About N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide

N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 8659020) has the molecular formula C22H25N5O2S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID8659020
Molecular FormulaC22H25N5O2S
Molecular Weight423.54 g/mol
Exact Mass423.17
IUPAC NameN-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnnn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C22H25N5O2S/c1-15(2)18-9-11-19(12-10-18)27-22(24-25-26-27)30-14-21(29)23-20(16(3)28)13-17-7-5-4-6-8-17/h4-12,15,20H,13-14H2,1-3H3,(H,23,29)/t20-/m0/s1
InChIKeyIERIIBFQJMBPDL-FQEVSTJZSA-N
XLogP3.19
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methylbutan-2-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 18776157
N-(1,2-diphenylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 46813778
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2524493
N-(2-acetylphenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7561491
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 7757116
N'-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
CID 8658930
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 18076417
N-[1-(3-chlorophenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 18131067
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9408369
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-phenylbutan-2-yl)acetamide
CID 16539106
N-[(4-chlorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7561413
N-[(2-fluorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8804407

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 8659020) is N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide is CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnnn1-c1ccc(C(C)C)cc1.
What is the InChIKey of N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is IERIIBFQJMBPDL-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25N5O2S/c1-15(2)18-9-11-19(12-10-18)27-22(24-25-26-27)30-14-21(29)23-20(16(3)28)13-17-7-5-4-6-8-17/h4-12,15,20H,13-14H2,1-3H3,(H,23,29)/t20-/m0/s1.
What are the key properties of N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 423.54 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 8659020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).