2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide

C17H19N5O2S2 — CID 9452605

IUPAC2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCOc1ccc(Cn2nnnc2SCC(=O)N(C)Cc2ccsc2)cc1
InChIInChI=1S/C17H19N5O2S2/c1-21(9-14-7-8-25-11-14)16(23)12-26-17-18-19-20-22(17)10-13-3-5-15(24-2)6-4-13/h3-8,11H,9-10,12H2,1-2H3
InChIKeyZZCJHQWIKZSYTG-UHFFFAOYSA-N
MW389.51 g/mol
LogP2.54
Rot. Bonds8

About 2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide

2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 9452605) has the molecular formula C17H19N5O2S2 and a molecular weight of 389.51 g/mol. Its IUPAC name is 2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID9452605
Molecular FormulaC17H19N5O2S2
Molecular Weight389.51 g/mol
Exact Mass389.10
IUPAC Name2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCOc1ccc(Cn2nnnc2SCC(=O)N(C)Cc2ccsc2)cc1
InChIInChI=1S/C17H19N5O2S2/c1-21(9-14-7-8-25-11-14)16(23)12-26-17-18-19-20-22(17)10-13-3-5-15(24-2)6-4-13/h3-8,11H,9-10,12H2,1-2H3
InChIKeyZZCJHQWIKZSYTG-UHFFFAOYSA-N
XLogP2.54
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 78760300
2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 51259319
2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 51244716
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 40987912
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 8682496
2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 24523120
3-(N-[2-(1-benzyltetrazol-5-yl)sulfanylacetyl]-4-methoxyanilino)propanamide
CID 24574097
2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 41426866
4-chloro-N'-[2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetyl]benzohydrazide
CID 26387767
N-[(4-fluorophenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide
CID 27091861
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide
CID 60564017
N-[(5-chlorothiophen-2-yl)methyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 42069102

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide (CID 9452605) is 2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide is COc1ccc(Cn2nnnc2SCC(=O)N(C)Cc2ccsc2)cc1.
What is the InChIKey of 2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is ZZCJHQWIKZSYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S2/c1-21(9-14-7-8-25-11-14)16(23)12-26-17-18-19-20-22(17)10-13-3-5-15(24-2)6-4-13/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of 2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 389.51 g/mol, XLogP of 2.54, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 9452605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).