N-(3-amino-4-methylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

C17H18N6O2S — CID 1173903

IUPACN-(3-amino-4-methylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(C)c(N)c1
InChIInChI=1S/C17H18N6O2S/c1-11-7-8-12(9-13(11)18)19-16(24)10-26-17-20-21-22-23(17)14-5-3-4-6-15(14)25-2/h3-9H,10,18H2,1-2H3,(H,19,24)
InChIKeyMKPODPDYSMUUSU-UHFFFAOYSA-N
MW370.44 g/mol
LogP2.29
Rot. Bonds6

About N-(3-amino-4-methylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

N-(3-amino-4-methylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 1173903) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID1173903
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC NameN-(3-amino-4-methylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(C)c(N)c1
InChIInChI=1S/C17H18N6O2S/c1-11-7-8-12(9-13(11)18)19-16(24)10-26-17-20-21-22-23(17)14-5-3-4-6-15(14)25-2/h3-9H,10,18H2,1-2H3,(H,19,24)
InChIKeyMKPODPDYSMUUSU-UHFFFAOYSA-N
XLogP2.29
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-Fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CID 1078050
2-[1-(3-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 651644
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[1-(2-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide
CID 1262825
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-(3-Acetylamino-phenyl)-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 649509
2-[1-(2,5-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 649518
N-(3,5-Dimethyl-phenyl)-2-[4-(2-methoxy-phenyl)-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 651121
N-(2-ethoxyphenyl)-2-[(1-phenyl-1H-tetrazol-5-yl)thio]acetamide
CID 982774
N-(2-methoxyphenyl)-2-{[1-(3-methoxyphenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1075013
N-(2-methoxyphenyl)-2-{[1-(2-methoxyphenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1156610
N-[5-(acetylamino)-2-methoxyphenyl]-2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetamide
CID 1264947

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 1173903) is N-(3-amino-4-methylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is COc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(C)c(N)c1.
What is the InChIKey of N-(3-amino-4-methylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is MKPODPDYSMUUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2S/c1-11-7-8-12(9-13(11)18)19-16(24)10-26-17-20-21-22-23(17)14-5-3-4-6-15(14)25-2/h3-9H,10,18H2,1-2H3,(H,19,24).
What are the key properties of N-(3-amino-4-methylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(3-amino-4-methylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 370.44 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 1173903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).