N-(4-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C12H15N5O2S — CID 4667200

IUPACN-(4-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2nnnn2C)cc1
InChIInChI=1S/C12H15N5O2S/c1-3-19-10-6-4-9(5-7-10)13-11(18)8-20-12-14-15-16-17(12)2/h4-7H,3,8H2,1-2H3,(H,13,18)
InChIKeyYJALAQUXOGUWNM-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.34
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(4-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 4667200) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID4667200
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC NameN-(4-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2nnnn2C)cc1
InChIInChI=1S/C12H15N5O2S/c1-3-19-10-6-4-9(5-7-10)13-11(18)8-20-12-14-15-16-17(12)2/h4-7H,3,8H2,1-2H3,(H,13,18)
InChIKeyYJALAQUXOGUWNM-UHFFFAOYSA-N
XLogP1.34
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 861219
N-(1,3-benzodioxol-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 861220
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
N-(4-butoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2164243
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
N-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 707638
2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 1383750
1-(4-ethoxyphenyl)-5-(prop-2-ynylthio)-1H-1,2,3,4-tetraazole
CID 2731967
4-[(2-{[3-(Methylthio)-1,2,4-thiadiazol-5-yl]thio}acetyl)amino]phenyl acetate
CID 2982240
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3228979

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 4667200) is N-(4-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is CCOc1ccc(NC(=O)CSc2nnnn2C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is YJALAQUXOGUWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-3-19-10-6-4-9(5-7-10)13-11(18)8-20-12-14-15-16-17(12)2/h4-7H,3,8H2,1-2H3,(H,13,18).
What are the key properties of N-(4-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(4-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 293.35 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 4667200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).