N-[(5-chlorothiophen-2-yl)methyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide

C16H16ClN5O2S2 — CID 42069102

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)N(C)Cc2ccc(Cl)s2)cc1
InChIInChI=1S/C16H16ClN5O2S2/c1-21(9-13-7-8-14(17)26-13)15(23)10-25-16-18-19-20-22(16)11-3-5-12(24-2)6-4-11/h3-8H,9-10H2,1-2H3
InChIKeyZCTHCNGWXQBPTI-UHFFFAOYSA-N
MW409.92 g/mol
LogP3.14
Rot. Bonds7

About N-[(5-chlorothiophen-2-yl)methyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide

N-[(5-chlorothiophen-2-yl)methyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide (PubChem CID 42069102) has the molecular formula C16H16ClN5O2S2 and a molecular weight of 409.92 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
PubChem CID42069102
Molecular FormulaC16H16ClN5O2S2
Molecular Weight409.92 g/mol
Exact Mass409.04
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)N(C)Cc2ccc(Cl)s2)cc1
InChIInChI=1S/C16H16ClN5O2S2/c1-21(9-13-7-8-14(17)26-13)15(23)10-25-16-18-19-20-22(16)11-3-5-12(24-2)6-4-11/h3-8H,9-10H2,1-2H3
InChIKeyZCTHCNGWXQBPTI-UHFFFAOYSA-N
XLogP3.14
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 8682496
N-[(2-bromophenyl)methyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 42069056
N-[(2-fluorophenyl)methyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 8682452
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 9073543
N-[(5-chlorothiophen-2-yl)methyl]-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-methylacetamide
CID 46639205
N-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 16539694
1-(2-chlorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 7863721
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 78760300
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 27916819
N-methyl-N-[(4-methylphenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8659039
N-(cyclopropylmethyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide
CID 2108077
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8577236

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide (CID 42069102) is N-[(5-chlorothiophen-2-yl)methyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide is COc1ccc(-n2nnnc2SCC(=O)N(C)Cc2ccc(Cl)s2)cc1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide?
The InChIKey is ZCTHCNGWXQBPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2S2/c1-21(9-13-7-8-14(17)26-13)15(23)10-25-16-18-19-20-22(16)11-3-5-12(24-2)6-4-11/h3-8H,9-10H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide has a molecular weight of 409.92 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide is sourced from PubChem (CID 42069102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).