N-(4-acetamidophenyl)-2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide

C18H17ClN6O2S — CID 7455421

IUPACN-(4-acetamidophenyl)-2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nnnn2-c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C18H17ClN6O2S/c1-11-3-8-15(9-16(11)19)25-18(22-23-24-25)28-10-17(27)21-14-6-4-13(5-7-14)20-12(2)26/h3-9H,10H2,1-2H3,(H,20,26)(H,21,27)
InChIKeyUOWBAGBWAJCCLF-UHFFFAOYSA-N
MW416.89 g/mol
LogP3.31
Rot. Bonds6

About N-(4-acetamidophenyl)-2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide

N-(4-acetamidophenyl)-2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 7455421) has the molecular formula C18H17ClN6O2S and a molecular weight of 416.89 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID7455421
Molecular FormulaC18H17ClN6O2S
Molecular Weight416.89 g/mol
Exact Mass416.08
IUPAC NameN-(4-acetamidophenyl)-2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nnnn2-c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C18H17ClN6O2S/c1-11-3-8-15(9-16(11)19)25-18(22-23-24-25)28-10-17(27)21-14-6-4-13(5-7-14)20-12(2)26/h3-9H,10H2,1-2H3,(H,20,26)(H,21,27)
InChIKeyUOWBAGBWAJCCLF-UHFFFAOYSA-N
XLogP3.31
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 7455377
2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 1309478
N-(3-chloro-4-methylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2595811
N-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1405245
N-(3-chloro-4-methylphenyl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 8858057
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 1455252
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 1455233
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 1455250
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
CID 7661482
N-(3,5-dichlorophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2616039
N-(4-chlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4814769
N-(3-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 4575267

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 7455421) is N-(4-acetamidophenyl)-2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide is CC(=O)Nc1ccc(NC(=O)CSc2nnnn2-c2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is UOWBAGBWAJCCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O2S/c1-11-3-8-15(9-16(11)19)25-18(22-23-24-25)28-10-17(27)21-14-6-4-13(5-7-14)20-12(2)26/h3-9H,10H2,1-2H3,(H,20,26)(H,21,27).
What are the key properties of N-(4-acetamidophenyl)-2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(4-acetamidophenyl)-2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 416.89 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 7455421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).