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

C15H12Cl2N6OS — CID 2369835

IUPACN-(3,5-dichloro-2-pyridinyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)Nc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H12Cl2N6OS/c1-9-2-4-11(5-3-9)23-15(20-21-22-23)25-8-13(24)19-14-12(17)6-10(16)7-18-14/h2-7H,8H2,1H3,(H,18,19,24)
InChIKeyCGUFCXISAXBCKH-UHFFFAOYSA-N
MW395.28 g/mol
LogP3.40
Rot. Bonds5

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

N-(3,5-dichloro-2-pyridinyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 2369835) has the molecular formula C15H12Cl2N6OS and a molecular weight of 395.28 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-pyridinyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID2369835
Molecular FormulaC15H12Cl2N6OS
Molecular Weight395.28 g/mol
Exact Mass394.02
IUPAC NameN-(3,5-dichloro-2-pyridinyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)Nc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H12Cl2N6OS/c1-9-2-4-11(5-3-9)23-15(20-21-22-23)25-8-13(24)19-14-12(17)6-10(16)7-18-14/h2-7H,8H2,1H3,(H,18,19,24)
InChIKeyCGUFCXISAXBCKH-UHFFFAOYSA-N
XLogP3.40
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dichloro-2-pyridinyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 26651016
N-(3,5-dichlorophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2616039
N-(2,6-dichloro-3-methylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2616052
N-(3-chloro-4-methylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2595811
N-(3,5-dichloro-2-pyridinyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 4683236
N-(2-chloro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7474172
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,4-dichlorophenyl)acetamide
CID 1348349
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 35987244
N-(2,6-dibromo-4-methylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 35659472
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 16535824
N-(3,5-dichloro-2-pyridinyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2386753
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4274871

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 2369835) is N-(3,5-dichloro-2-pyridinyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1ccc(-n2nnnc2SCC(=O)Nc2ncc(Cl)cc2Cl)cc1.
What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is CGUFCXISAXBCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N6OS/c1-9-2-4-11(5-3-9)23-15(20-21-22-23)25-8-13(24)19-14-12(17)6-10(16)7-18-14/h2-7H,8H2,1H3,(H,18,19,24).
What are the key properties of N-(3,5-dichloro-2-pyridinyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(3,5-dichloro-2-pyridinyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 395.28 g/mol, XLogP of 3.40, 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-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 2369835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).