N-(3,5-dichloro-2-pyridinyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide

C16H14Cl2N6OS — CID 26651016

IUPACN-(3,5-dichloro-2-pyridinyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)Nc2ncc(Cl)cc2Cl)cc1C
InChIInChI=1S/C16H14Cl2N6OS/c1-9-3-4-12(5-10(9)2)24-16(21-22-23-24)26-8-14(25)20-15-13(18)6-11(17)7-19-15/h3-7H,8H2,1-2H3,(H,19,20,25)
InChIKeyPKGXDBMKFYBOBW-UHFFFAOYSA-N
MW409.30 g/mol
LogP3.71
Rot. Bonds5

About N-(3,5-dichloro-2-pyridinyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide

N-(3,5-dichloro-2-pyridinyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 26651016) has the molecular formula C16H14Cl2N6OS and a molecular weight of 409.30 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-pyridinyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID26651016
Molecular FormulaC16H14Cl2N6OS
Molecular Weight409.30 g/mol
Exact Mass408.03
IUPAC NameN-(3,5-dichloro-2-pyridinyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)Nc2ncc(Cl)cc2Cl)cc1C
InChIInChI=1S/C16H14Cl2N6OS/c1-9-3-4-12(5-10(9)2)24-16(21-22-23-24)26-8-14(25)20-15-13(18)6-11(17)7-19-15/h3-7H,8H2,1-2H3,(H,19,20,25)
InChIKeyPKGXDBMKFYBOBW-UHFFFAOYSA-N
XLogP3.71
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.30
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dichloro-2-pyridinyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2369835
N-(2-chloro-4-fluorophenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8976822
N-[(4-chlorophenyl)methyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7534457
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 16535824
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
CID 7661482
N-(4-acetamidophenyl)-2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7455421
N-(3,5-dichloro-2-pyridinyl)-2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2428295
N-[(3-chlorophenyl)methyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7661613
N-(3-chloro-4-methylphenyl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 8858057
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7661606
N-(3-chloro-4-methylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2595811
N-(2,6-dichloro-3-methylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2616052

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 26651016) is N-(3,5-dichloro-2-pyridinyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1ccc(-n2nnnc2SCC(=O)Nc2ncc(Cl)cc2Cl)cc1C.
What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is PKGXDBMKFYBOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N6OS/c1-9-3-4-12(5-10(9)2)24-16(21-22-23-24)26-8-14(25)20-15-13(18)6-11(17)7-19-15/h3-7H,8H2,1-2H3,(H,19,20,25).
What are the key properties of N-(3,5-dichloro-2-pyridinyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(3,5-dichloro-2-pyridinyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 409.30 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-pyridinyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 26651016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).