N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide

C18H19N5O2S — CID 4878916

IUPACN-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
SMILESCOc1ccc(C)cc1NC(=O)C(Sc1nnnn1C)c1ccccc1
InChIInChI=1S/C18H19N5O2S/c1-12-9-10-15(25-3)14(11-12)19-17(24)16(13-7-5-4-6-8-13)26-18-20-21-22-23(18)2/h4-11,16H,1-3H3,(H,19,24)
InChIKeyXPKYIOPXHASCFY-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.00
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide

N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide (PubChem CID 4878916) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
PubChem CID4878916
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
SMILESCOc1ccc(C)cc1NC(=O)C(Sc1nnnn1C)c1ccccc1
InChIInChI=1S/C18H19N5O2S/c1-12-9-10-15(25-3)14(11-12)19-17(24)16(13-7-5-4-6-8-13)26-18-20-21-22-23(18)2/h4-11,16H,1-3H3,(H,19,24)
InChIKeyXPKYIOPXHASCFY-UHFFFAOYSA-N
XLogP3.00
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 3525947
2-(Benzylsulfanyl)-7-(4-ethylphenyl)-N-(2-methoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 135416465
N-(2-(4-Methoxyphenyl)ethyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)acetamide
CID 985316
N-(2-methoxy-5-methylphenyl)-2-[[1-(phenylmethyl)-5-tetrazolyl]thio]acetamide
CID 644948
N-(2-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 665963
2-[(1-benzyl-1H-tetrazol-5-yl)thio]-N-(2-methoxyphenyl)acetamide
CID 1319426
N-(2-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 2094416
N-(2-methoxyphenyl)-4-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide
CID 2102209
N-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2292924
N-(2-Methoxy-phenyl)-2-(1-p-tolyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 2616947
2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 3626493
N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide
CID 25163152

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide (CID 4878916) is N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide is COc1ccc(C)cc1NC(=O)C(Sc1nnnn1C)c1ccccc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
The InChIKey is XPKYIOPXHASCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-12-9-10-15(25-3)14(11-12)19-17(24)16(13-7-5-4-6-8-13)26-18-20-21-22-23(18)2/h4-11,16H,1-3H3,(H,19,24).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide has a molecular weight of 369.45 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 N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide is sourced from PubChem (CID 4878916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).