2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide

C16H17N5O2S2 — CID 1172293

IUPAC2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCCOc1ccc(-n2nnnc2SCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C16H17N5O2S2/c1-2-23-13-7-5-12(6-8-13)21-16(18-19-20-21)25-11-15(22)17-10-14-4-3-9-24-14/h3-9H,2,10-11H2,1H3,(H,17,22)
InChIKeyGOKULBBUHKHKMV-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.53
Rot. Bonds8

About 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide

2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 1172293) has the molecular formula C16H17N5O2S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID1172293
Molecular FormulaC16H17N5O2S2
Molecular Weight375.48 g/mol
Exact Mass375.08
IUPAC Name2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCCOc1ccc(-n2nnnc2SCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C16H17N5O2S2/c1-2-23-13-7-5-12(6-8-13)21-16(18-19-20-21)25-11-15(22)17-10-14-4-3-9-24-14/h3-9H,2,10-11H2,1H3,(H,17,22)
InChIKeyGOKULBBUHKHKMV-UHFFFAOYSA-N
XLogP2.53
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 2615751
2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 7561500
2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 24523762
2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-prop-2-enylacetamide
CID 6491314
2-(1-propyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 655852
2-[[5-(3-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 2465495
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 26575488
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 28594751
1-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-3,3-dimethylbutan-2-one
CID 2732817
4-[[2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoic acid
CID 16649170
2-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 17172905
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7462729

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide (CID 1172293) is 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide is CCOc1ccc(-n2nnnc2SCC(=O)NCc2cccs2)cc1.
What is the InChIKey of 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is GOKULBBUHKHKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S2/c1-2-23-13-7-5-12(6-8-13)21-16(18-19-20-21)25-11-15(22)17-10-14-4-3-9-24-14/h3-9H,2,10-11H2,1H3,(H,17,22).
What are the key properties of 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 375.48 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 1172293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).