N-(2-propan-2-ylsulfanylphenyl)-2-(tetrazol-1-yl)acetamide

C12H15N5OS — CID 167901485

IUPACN-(2-propan-2-ylsulfanylphenyl)-2-(tetrazol-1-yl)acetamide
SMILESCC(C)Sc1ccccc1NC(=O)Cn1cnnn1
InChIInChI=1S/C12H15N5OS/c1-9(2)19-11-6-4-3-5-10(11)14-12(18)7-17-8-13-15-16-17/h3-6,8-9H,7H2,1-2H3,(H,14,18)
InChIKeyFDHGGXZOQXLQOP-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.81
Rot. Bonds5

About N-(2-propan-2-ylsulfanylphenyl)-2-(tetrazol-1-yl)acetamide

N-(2-propan-2-ylsulfanylphenyl)-2-(tetrazol-1-yl)acetamide (PubChem CID 167901485) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(2-propan-2-ylsulfanylphenyl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-propan-2-ylsulfanylphenyl)-2-(tetrazol-1-yl)acetamide
PubChem CID167901485
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC NameN-(2-propan-2-ylsulfanylphenyl)-2-(tetrazol-1-yl)acetamide
SMILESCC(C)Sc1ccccc1NC(=O)Cn1cnnn1
InChIInChI=1S/C12H15N5OS/c1-9(2)19-11-6-4-3-5-10(11)14-12(18)7-17-8-13-15-16-17/h3-6,8-9H,7H2,1-2H3,(H,14,18)
InChIKeyFDHGGXZOQXLQOP-UHFFFAOYSA-N
XLogP1.81
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(difluoromethylsulfanyl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 52896191
N-phenyl-2-(tetrazol-1-yl)acetamide
CID 24977364
N-[2,6-di(propan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 8778733
N-[4-[(2S)-butan-2-yl]sulfanyl-2-methylphenyl]-2-(tetrazol-1-yl)acetamide
CID 94801495
3-amino-N-(2-propan-2-ylsulfanylphenyl)propanamide
CID 119331778
2-(methylamino)-N-(2-propan-2-ylsulfanylphenyl)acetamide;hydrochloride
CID 119797995
N-(2-propan-2-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide
CID 112793457
N-(1-benzyl-2-oxo-3-pyridinyl)-2-(tetrazol-1-yl)acetamide
CID 71856302
N-(2,5-dichlorophenyl)-2-(tetrazol-1-yl)acetamide
CID 26086117
N-(6-chloro-2-methyl-3-pyridinyl)-2-(tetrazol-1-yl)acetamide
CID 107301047
2-(3-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 62102362
2-methyl-3-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 119218600

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylsulfanylphenyl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(2-propan-2-ylsulfanylphenyl)-2-(tetrazol-1-yl)acetamide (CID 167901485) is N-(2-propan-2-ylsulfanylphenyl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-propan-2-ylsulfanylphenyl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(2-propan-2-ylsulfanylphenyl)-2-(tetrazol-1-yl)acetamide is CC(C)Sc1ccccc1NC(=O)Cn1cnnn1.
What is the InChIKey of N-(2-propan-2-ylsulfanylphenyl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is FDHGGXZOQXLQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-9(2)19-11-6-4-3-5-10(11)14-12(18)7-17-8-13-15-16-17/h3-6,8-9H,7H2,1-2H3,(H,14,18).
What are the key properties of N-(2-propan-2-ylsulfanylphenyl)-2-(tetrazol-1-yl)acetamide?
N-(2-propan-2-ylsulfanylphenyl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 277.35 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylsulfanylphenyl)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 167901485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).