2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[3-(tetrazol-1-yl)phenyl]acetamide

C19H17N7OS — CID 34549840

IUPAC2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[3-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1ccccc1-n1ccnc1SCC(=O)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C19H17N7OS/c1-14-5-2-3-8-17(14)25-10-9-20-19(25)28-12-18(27)22-15-6-4-7-16(11-15)26-13-21-23-24-26/h2-11,13H,12H2,1H3,(H,22,27)
InChIKeyJOXBHFMJSRNYGT-UHFFFAOYSA-N
MW391.46 g/mol
LogP2.89
Rot. Bonds6

About 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[3-(tetrazol-1-yl)phenyl]acetamide

2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[3-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 34549840) has the molecular formula C19H17N7OS and a molecular weight of 391.46 g/mol. Its IUPAC name is 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[3-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[3-(tetrazol-1-yl)phenyl]acetamide
PubChem CID34549840
Molecular FormulaC19H17N7OS
Molecular Weight391.46 g/mol
Exact Mass391.12
IUPAC Name2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[3-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1ccccc1-n1ccnc1SCC(=O)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C19H17N7OS/c1-14-5-2-3-8-17(14)25-10-9-20-19(25)28-12-18(27)22-15-6-4-7-16(11-15)26-13-21-23-24-26/h2-11,13H,12H2,1H3,(H,22,27)
InChIKeyJOXBHFMJSRNYGT-UHFFFAOYSA-N
XLogP2.89
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-acetamido-4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 55846055
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 34549176
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 34549774
N-(3-acetamidophenyl)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7150913
2-[[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide
CID 78797782
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-pyridin-3-ylacetamide
CID 39761133
N-[4-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]propanamide
CID 33299222
N-(3-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40684960
N-(3-bromophenyl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7257762
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 56571740
N-(3-chlorophenyl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 4061693
2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 63681198

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[3-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[3-(tetrazol-1-yl)phenyl]acetamide (CID 34549840) is 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[3-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[3-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[3-(tetrazol-1-yl)phenyl]acetamide is Cc1ccccc1-n1ccnc1SCC(=O)Nc1cccc(-n2cnnn2)c1.
What is the InChIKey of 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[3-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is JOXBHFMJSRNYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7OS/c1-14-5-2-3-8-17(14)25-10-9-20-19(25)28-12-18(27)22-15-6-4-7-16(11-15)26-13-21-23-24-26/h2-11,13H,12H2,1H3,(H,22,27).
What are the key properties of 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[3-(tetrazol-1-yl)phenyl]acetamide?
2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[3-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 391.46 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[3-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 34549840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).