N-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide

C17H17N5O2S — CID 3525947

IUPACN-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
SMILESCOc1cccc(NC(=O)C(Sc2nnnn2C)c2ccccc2)c1
InChIInChI=1S/C17H17N5O2S/c1-22-17(19-20-21-22)25-15(12-7-4-3-5-8-12)16(23)18-13-9-6-10-14(11-13)24-2/h3-11,15H,1-2H3,(H,18,23)
InChIKeyZECLMZRFZBNMEC-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.69
Rot. Bonds6

About N-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide

N-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide (PubChem CID 3525947) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
PubChem CID3525947
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC NameN-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
SMILESCOc1cccc(NC(=O)C(Sc2nnnn2C)c2ccccc2)c1
InChIInChI=1S/C17H17N5O2S/c1-22-17(19-20-21-22)25-15(12-7-4-3-5-8-12)16(23)18-13-9-6-10-14(11-13)24-2/h3-11,15H,1-2H3,(H,18,23)
InChIKeyZECLMZRFZBNMEC-UHFFFAOYSA-N
XLogP2.69
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(3-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 651644
N-(2-(4-Methoxyphenyl)ethyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)acetamide
CID 985316
2-[1-(2,5-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 649518
N-(4-Benzyloxy-phenyl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 649645
N-(4-Acetylamino-phenyl)-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1075026
N-(3-methoxyphenyl)-2-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)acetamide
CID 1262685
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-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 4878916
2-[(5-benzyl-4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]-N-(3-methoxyphenyl)acetamide
CID 135435942
N-[(4-methoxyphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 1102237
2-(1-Isopropyl-1H-tetrazol-5-ylsulfanyl)-N-(3-methoxy-phenyl)-acetamide
CID 654803

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide (CID 3525947) is N-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide is COc1cccc(NC(=O)C(Sc2nnnn2C)c2ccccc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
The InChIKey is ZECLMZRFZBNMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-22-17(19-20-21-22)25-15(12-7-4-3-5-8-12)16(23)18-13-9-6-10-14(11-13)24-2/h3-11,15H,1-2H3,(H,18,23).
What are the key properties of N-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
N-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide has a molecular weight of 355.42 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide is sourced from PubChem (CID 3525947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).