2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide

C16H17N5O3S2 — CID 1175564

IUPAC2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1cc(OC)cc(-n2nnnc2SCC(=O)NCc2cccs2)c1
InChIInChI=1S/C16H17N5O3S2/c1-23-12-6-11(7-13(8-12)24-2)21-16(18-19-20-21)26-10-15(22)17-9-14-4-3-5-25-14/h3-8H,9-10H2,1-2H3,(H,17,22)
InChIKeyFTRQBVTVSXBZGA-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.15
Rot. Bonds8

About 2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide

2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 1175564) has the molecular formula C16H17N5O3S2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID1175564
Molecular FormulaC16H17N5O3S2
Molecular Weight391.48 g/mol
Exact Mass391.08
IUPAC Name2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1cc(OC)cc(-n2nnnc2SCC(=O)NCc2cccs2)c1
InChIInChI=1S/C16H17N5O3S2/c1-23-12-6-11(7-13(8-12)24-2)21-16(18-19-20-21)26-10-15(22)17-9-14-4-3-5-25-14/h3-8H,9-10H2,1-2H3,(H,17,22)
InChIKeyFTRQBVTVSXBZGA-UHFFFAOYSA-N
XLogP2.15
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-Dimethoxy-phenyl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 655782
2-{[1-(1,3-benzodioxol-5-yl)-1H-tetrazol-5-yl]thio}-N-(2-thienylmethyl)acetamide
CID 1263308
N-Cyclohexyl-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 859381
N-(3,5-Dimethoxyphenyl)-2-((4-ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamide
CID 1264890
2-[1-(3,5-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-1-pyrrolidin-1-yl-ethanone
CID 654760
N-(3,5-dimethoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 666502
N-(3-methoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 666686
N-Cyclopentyl-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 859382
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 1172305
N-Cyclopentyl-2-[1-(3,5-dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1175566
2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-N-(3,5-dimethoxy-phenyl)-acetamide
CID 3228985
2-{[4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide
CID 1995061

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide (CID 1175564) is 2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide is COc1cc(OC)cc(-n2nnnc2SCC(=O)NCc2cccs2)c1.
What is the InChIKey of 2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is FTRQBVTVSXBZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S2/c1-23-12-6-11(7-13(8-12)24-2)21-16(18-19-20-21)26-10-15(22)17-9-14-4-3-5-25-14/h3-8H,9-10H2,1-2H3,(H,17,22).
What are the key properties of 2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 391.48 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 1175564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).