N-(3-chlorophenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide

C16H14ClN5OS — CID 16648706

IUPACN-(3-chlorophenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1cccc(-n2nnnc2SCC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C16H14ClN5OS/c1-11-4-2-7-14(8-11)22-16(19-20-21-22)24-10-15(23)18-13-6-3-5-12(17)9-13/h2-9H,10H2,1H3,(H,18,23)
InChIKeyFQLWIIADYHSFCO-UHFFFAOYSA-N
MW359.84 g/mol
LogP3.35
Rot. Bonds5

About N-(3-chlorophenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide

N-(3-chlorophenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 16648706) has the molecular formula C16H14ClN5OS and a molecular weight of 359.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID16648706
Molecular FormulaC16H14ClN5OS
Molecular Weight359.84 g/mol
Exact Mass359.06
IUPAC NameN-(3-chlorophenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1cccc(-n2nnnc2SCC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C16H14ClN5OS/c1-11-4-2-7-14(8-11)22-16(19-20-21-22)24-10-15(23)18-13-6-3-5-12(17)9-13/h2-9H,10H2,1H3,(H,18,23)
InChIKeyFQLWIIADYHSFCO-UHFFFAOYSA-N
XLogP3.35
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
CID 853335
N-(3-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 7562846
N-(3-chlorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1328619
N-(3-chloro-4-methylphenyl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 8858057
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1026931
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 1455252
N-(3,5-dichlorophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2616039
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(phenylcarbamoyl)acetamide
CID 9061735
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 8858281
2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-(3-methylphenyl)benzamide
CID 46606064
N-(3-chlorophenyl)-2-[[4-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1005600
2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8805926

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 16648706) is N-(3-chlorophenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1cccc(-n2nnnc2SCC(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is FQLWIIADYHSFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5OS/c1-11-4-2-7-14(8-11)22-16(19-20-21-22)24-10-15(23)18-13-6-3-5-12(17)9-13/h2-9H,10H2,1H3,(H,18,23).
What are the key properties of N-(3-chlorophenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(3-chlorophenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 359.84 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 16648706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).