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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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).