N-(3-acetylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide

C24H21N5O2S — CID 16508641

IUPACN-(3-acetylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
SMILESCC(=O)c1cccc(NC(=O)C(Sc2nnnn2-c2ccccc2C)c2ccccc2)c1
InChIInChI=1S/C24H21N5O2S/c1-16-9-6-7-14-21(16)29-24(26-27-28-29)32-22(18-10-4-3-5-11-18)23(31)25-20-13-8-12-19(15-20)17(2)30/h3-15,22H,1-2H3,(H,25,31)
InChIKeyVLJPTWALZVOJSY-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.65
Rot. Bonds7

About N-(3-acetylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide

N-(3-acetylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide (PubChem CID 16508641) has the molecular formula C24H21N5O2S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
PubChem CID16508641
Molecular FormulaC24H21N5O2S
Molecular Weight443.53 g/mol
Exact Mass443.14
IUPAC NameN-(3-acetylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
SMILESCC(=O)c1cccc(NC(=O)C(Sc2nnnn2-c2ccccc2C)c2ccccc2)c1
InChIInChI=1S/C24H21N5O2S/c1-16-9-6-7-14-21(16)29-24(26-27-28-29)32-22(18-10-4-3-5-11-18)23(31)25-20-13-8-12-19(15-20)17(2)30/h3-15,22H,1-2H3,(H,25,31)
InChIKeyVLJPTWALZVOJSY-UHFFFAOYSA-N
XLogP4.65
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-acetylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 46812114
(2S)-N-(3-acetylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2430883
N-(3-methoxyphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 16508637
(2S)-N-(4-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 2505068
(2R)-N-(4-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 2505071
N-(4-acetylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16508636
N-(3-chlorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16508638
N-(3-acetylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 9150724
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)-2-phenylacetamide
CID 16535961
(2S)-N-(3-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 40608479
(2R)-N-(3-acetylphenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 2613776
(2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(methylcarbamoyl)-2-phenylacetamide
CID 7878125

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide (CID 16508641) is N-(3-acetylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide is CC(=O)c1cccc(NC(=O)C(Sc2nnnn2-c2ccccc2C)c2ccccc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide?
The InChIKey is VLJPTWALZVOJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S/c1-16-9-6-7-14-21(16)29-24(26-27-28-29)32-22(18-10-4-3-5-11-18)23(31)25-20-13-8-12-19(15-20)17(2)30/h3-15,22H,1-2H3,(H,25,31).
What are the key properties of N-(3-acetylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide?
N-(3-acetylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide has a molecular weight of 443.53 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide is sourced from PubChem (CID 16508641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).