N-(2,3-dimethylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide

C21H19N5OS — CID 1040711

IUPACN-(2,3-dimethylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2nnnn2-c2cccc3ccccc23)c1C
InChIInChI=1S/C21H19N5OS/c1-14-7-5-11-18(15(14)2)22-20(27)13-28-21-23-24-25-26(21)19-12-6-9-16-8-3-4-10-17(16)19/h3-12H,13H2,1-2H3,(H,22,27)
InChIKeyHBJZFDOBRTUAKM-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.16
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide

N-(2,3-dimethylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide (PubChem CID 1040711) has the molecular formula C21H19N5OS and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
PubChem CID1040711
Molecular FormulaC21H19N5OS
Molecular Weight389.48 g/mol
Exact Mass389.13
IUPAC NameN-(2,3-dimethylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2nnnn2-c2cccc3ccccc23)c1C
InChIInChI=1S/C21H19N5OS/c1-14-7-5-11-18(15(14)2)22-20(27)13-28-21-23-24-25-26(21)19-12-6-9-16-8-3-4-10-17(16)19/h3-12H,13H2,1-2H3,(H,22,27)
InChIKeyHBJZFDOBRTUAKM-UHFFFAOYSA-N
XLogP4.16
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-{[1-(naphthalen-1-yl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
CID 3127025
N-(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)thio]acetamide
CID 2947864
N-naphthalen-1-yl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2086407
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 562730
ethyl {[1-(1-naphthyl)-1H-tetrazol-5-yl]thio}acetate
CID 1260000
N-(2-chlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 5275073
N-(2-iodophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 11691481
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-piperidin-1-yl-phenyl)-acetamide
CID 648201
N-(2-methylphenyl)-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propanamide
CID 851332
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 1017550
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 1164138
N-(2,3-dimethylphenyl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1206747

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide (CID 1040711) is N-(2,3-dimethylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide is Cc1cccc(NC(=O)CSc2nnnn2-c2cccc3ccccc23)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The InChIKey is HBJZFDOBRTUAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5OS/c1-14-7-5-11-18(15(14)2)22-20(27)13-28-21-23-24-25-26(21)19-12-6-9-16-8-3-4-10-17(16)19/h3-12H,13H2,1-2H3,(H,22,27).
What are the key properties of N-(2,3-dimethylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
N-(2,3-dimethylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide has a molecular weight of 389.48 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 1040711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).