2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)acetamide

C18H18N6O2S — CID 1455252

IUPAC2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)acetamide
SMILESCC(=O)Nc1ccc(-n2nnnc2SCC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C18H18N6O2S/c1-12-4-3-5-15(10-12)20-17(26)11-27-18-21-22-23-24(18)16-8-6-14(7-9-16)19-13(2)25/h3-10H,11H2,1-2H3,(H,19,25)(H,20,26)
InChIKeyBYRSWMNDUWGEOS-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.66
Rot. Bonds6

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

2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)acetamide (PubChem CID 1455252) has the molecular formula C18H18N6O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)acetamide
PubChem CID1455252
Molecular FormulaC18H18N6O2S
Molecular Weight382.45 g/mol
Exact Mass382.12
IUPAC Name2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)acetamide
SMILESCC(=O)Nc1ccc(-n2nnnc2SCC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C18H18N6O2S/c1-12-4-3-5-15(10-12)20-17(26)11-27-18-21-22-23-24(18)16-8-6-14(7-9-16)19-13(2)25/h3-10H,11H2,1-2H3,(H,19,25)(H,20,26)
InChIKeyBYRSWMNDUWGEOS-UHFFFAOYSA-N
XLogP2.66
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
CID 853335
N-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1405245
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4274871
N-(3-chlorophenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16648706
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 2685083
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
N-(3-acetylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2563249
N-(4-acetamidophenyl)-2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7455421
N-(3-chlorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1328619
2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-(3-methylphenyl)benzamide
CID 46606064
N-[3-[[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]phenyl]propanamide
CID 1175654

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)acetamide (CID 1455252) is 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)acetamide is CC(=O)Nc1ccc(-n2nnnc2SCC(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)acetamide?
The InChIKey is BYRSWMNDUWGEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S/c1-12-4-3-5-15(10-12)20-17(26)11-27-18-21-22-23-24(18)16-8-6-14(7-9-16)19-13(2)25/h3-10H,11H2,1-2H3,(H,19,25)(H,20,26).
What are the key properties of 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)acetamide?
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)acetamide has a molecular weight of 382.45 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 1455252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).