2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide

C16H15N5O2S — CID 51299112

IUPAC2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
SMILESCOc1ccc(-n2nnnc2SC(C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C16H15N5O2S/c1-23-13-9-7-12(8-10-13)21-16(18-19-20-21)24-14(15(17)22)11-5-3-2-4-6-11/h2-10,14H,1H3,(H2,17,22)
InChIKeyQRGVWJJVDORBSM-UHFFFAOYSA-N
MW341.40 g/mol
LogP1.99
Rot. Bonds6

About 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide

2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide (PubChem CID 51299112) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
PubChem CID51299112
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
SMILESCOc1ccc(-n2nnnc2SC(C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C16H15N5O2S/c1-23-13-9-7-12(8-10-13)21-16(18-19-20-21)24-14(15(17)22)11-5-3-2-4-6-11/h2-10,14H,1H3,(H2,17,22)
InChIKeyQRGVWJJVDORBSM-UHFFFAOYSA-N
XLogP1.99
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetate
CID 7474075
(2S)-N-(2,5-dimethylphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 41100980
(2S)-N-benzhydryl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 40941826
(2R)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetic acid
CID 40555263
1-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-1-phenylpropan-2-one
CID 91248510
(2R)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
CID 2618654
(2S)-1-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 7863785
1-(2-chlorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 7863721
1-(4-methoxyphenyl)-5-(2-phenylethylsulfanyl)tetrazole
CID 112780708
(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 7863769
1-(4-fluorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 51140165
(2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2621115

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide (CID 51299112) is 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide is COc1ccc(-n2nnnc2SC(C(N)=O)c2ccccc2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide?
The InChIKey is QRGVWJJVDORBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-23-13-9-7-12(8-10-13)21-16(18-19-20-21)24-14(15(17)22)11-5-3-2-4-6-11/h2-10,14H,1H3,(H2,17,22).
What are the key properties of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide?
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide has a molecular weight of 341.40 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide is sourced from PubChem (CID 51299112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).