N-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C11H13N5O2S — CID 2292924

IUPACN-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCOc1ccccc1NC(=O)CSc1nnnn1C
InChIInChI=1S/C11H13N5O2S/c1-16-11(13-14-15-16)19-7-10(17)12-8-5-3-4-6-9(8)18-2/h3-6H,7H2,1-2H3,(H,12,17)
InChIKeyMUCFJCBCZAMXJL-UHFFFAOYSA-N
MW279.33 g/mol
LogP0.95
Rot. Bonds5

About N-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 2292924) has the molecular formula C11H13N5O2S and a molecular weight of 279.33 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID2292924
Molecular FormulaC11H13N5O2S
Molecular Weight279.33 g/mol
Exact Mass279.08
IUPAC NameN-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCOc1ccccc1NC(=O)CSc1nnnn1C
InChIInChI=1S/C11H13N5O2S/c1-16-11(13-14-15-16)19-7-10(17)12-8-5-3-4-6-9(8)18-2/h3-6H,7H2,1-2H3,(H,12,17)
InChIKeyMUCFJCBCZAMXJL-UHFFFAOYSA-N
XLogP0.95
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Propanamide, N-(4-methoxyphenyl)-3-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]-
CID 3916392
N-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 847552
2-[1-(2-Fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CID 1078050
N-(4-butoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2164243
N-(2-Methoxyphenyl)-2-(1H-1,2,4-triazol-3-ylthio)acetamide
CID 2254375
N-(4-methoxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 670664
N-(4-ethoxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 677402
2-(4-Amino-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(2,4-dimethoxy-phenyl)-acetamide
CID 796220
2-(4-Ethyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 864675
2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 1383750
N-(2-methoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 1976598
2-[[4-(2-Methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 2116064

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 2292924) is N-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is COc1ccccc1NC(=O)CSc1nnnn1C.
What is the InChIKey of N-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is MUCFJCBCZAMXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-16-11(13-14-15-16)19-7-10(17)12-8-5-3-4-6-9(8)18-2/h3-6H,7H2,1-2H3,(H,12,17).
What are the key properties of N-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 279.33 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 2292924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).