2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide

C16H17N5OS2 — CID 7646493

IUPAC2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
SMILESCc1ccccc1-n1nnnc1SCC(=O)N[C@H](C)c1cccs1
InChIInChI=1S/C16H17N5OS2/c1-11-6-3-4-7-13(11)21-16(18-19-20-21)24-10-15(22)17-12(2)14-8-5-9-23-14/h3-9,12H,10H2,1-2H3,(H,17,22)/t12-/m1/s1
InChIKeyMUDSPRVAYKQYBO-GFCCVEGCSA-N
MW359.48 g/mol
LogP3.00
Rot. Bonds6

About 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide

2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide (PubChem CID 7646493) has the molecular formula C16H17N5OS2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
PubChem CID7646493
Molecular FormulaC16H17N5OS2
Molecular Weight359.48 g/mol
Exact Mass359.09
IUPAC Name2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
SMILESCc1ccccc1-n1nnnc1SCC(=O)N[C@H](C)c1cccs1
InChIInChI=1S/C16H17N5OS2/c1-11-6-3-4-7-13(11)21-16(18-19-20-21)24-10-15(22)17-12(2)14-8-5-9-23-14/h3-9,12H,10H2,1-2H3,(H,17,22)/t12-/m1/s1
InChIKeyMUDSPRVAYKQYBO-GFCCVEGCSA-N
XLogP3.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 7647417
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7462729
N-[2,6-di(propan-2-yl)phenyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2419707
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-propan-2-ylacetamide
CID 7660881
N-benzyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2420493
2-[[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-(1-phenylethyl)benzamide
CID 4880546
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 16508778
N-(3,5-dimethylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5137050
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N',N'-diphenylacetohydrazide
CID 3369531
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 27015628
2-(5-amino-2-methylphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 79140976
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8798833

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide (CID 7646493) is 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide is Cc1ccccc1-n1nnnc1SCC(=O)N[C@H](C)c1cccs1.
What is the InChIKey of 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The InChIKey is MUDSPRVAYKQYBO-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17N5OS2/c1-11-6-3-4-7-13(11)21-16(18-19-20-21)24-10-15(22)17-12(2)14-8-5-9-23-14/h3-9,12H,10H2,1-2H3,(H,17,22)/t12-/m1/s1.
What are the key properties of 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide has a molecular weight of 359.48 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 7646493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).