2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(3-methylphenoxy)phenyl]acetamide

C19H19N5O2S — CID 27096576

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(3-methylphenoxy)phenyl]acetamide
SMILESCc1cccc(Oc2ccc(NC(=O)CSc3nnnn3C3CC3)cc2)c1
InChIInChI=1S/C19H19N5O2S/c1-13-3-2-4-17(11-13)26-16-9-5-14(6-10-16)20-18(25)12-27-19-21-22-23-24(19)15-7-8-15/h2-6,9-11,15H,7-8,12H2,1H3,(H,20,25)
InChIKeyOYMOTNISWUPUGE-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.84
Rot. Bonds7

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(3-methylphenoxy)phenyl]acetamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(3-methylphenoxy)phenyl]acetamide (PubChem CID 27096576) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(3-methylphenoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(3-methylphenoxy)phenyl]acetamide
PubChem CID27096576
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(3-methylphenoxy)phenyl]acetamide
SMILESCc1cccc(Oc2ccc(NC(=O)CSc3nnnn3C3CC3)cc2)c1
InChIInChI=1S/C19H19N5O2S/c1-13-3-2-4-17(11-13)26-16-9-5-14(6-10-16)20-18(25)12-27-19-21-22-23-24(19)15-7-8-15/h2-6,9-11,15H,7-8,12H2,1H3,(H,20,25)
InChIKeyOYMOTNISWUPUGE-UHFFFAOYSA-N
XLogP3.84
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-naphthalen-2-ylacetamide
CID 9207134
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 35493846
N-(3-amino-4-methylphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 43377161
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 26388936
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(2-phenylethynyl)phenyl]acetamide
CID 134004627
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-phenoxyphenyl)ethanone
CID 38841877
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
CID 51244846
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 27045966
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31405406
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 1440839
N-(1,3-benzodioxol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 9204376
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 18098914

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(3-methylphenoxy)phenyl]acetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(3-methylphenoxy)phenyl]acetamide (CID 27096576) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(3-methylphenoxy)phenyl]acetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(3-methylphenoxy)phenyl]acetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(3-methylphenoxy)phenyl]acetamide is Cc1cccc(Oc2ccc(NC(=O)CSc3nnnn3C3CC3)cc2)c1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(3-methylphenoxy)phenyl]acetamide?
The InChIKey is OYMOTNISWUPUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-13-3-2-4-17(11-13)26-16-9-5-14(6-10-16)20-18(25)12-27-19-21-22-23-24(19)15-7-8-15/h2-6,9-11,15H,7-8,12H2,1H3,(H,20,25).
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(3-methylphenoxy)phenyl]acetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(3-methylphenoxy)phenyl]acetamide has a molecular weight of 381.46 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(3-methylphenoxy)phenyl]acetamide is sourced from PubChem (CID 27096576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).