(2R)-N-(4-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide

C22H18FN5OS — CID 2505071

IUPAC(2R)-N-(4-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
SMILESCc1ccccc1-n1nnnc1S[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C22H18FN5OS/c1-15-7-5-6-10-19(15)28-22(25-26-27-28)30-20(16-8-3-2-4-9-16)21(29)24-18-13-11-17(23)12-14-18/h2-14,20H,1H3,(H,24,29)/t20-/m1/s1
InChIKeyBTRDNLRFFOWTSO-HXUWFJFHSA-N
MW419.49 g/mol
LogP4.58
Rot. Bonds6

About (2R)-N-(4-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide

(2R)-N-(4-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide (PubChem CID 2505071) has the molecular formula C22H18FN5OS and a molecular weight of 419.49 g/mol. Its IUPAC name is (2R)-N-(4-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(4-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
PubChem CID2505071
Molecular FormulaC22H18FN5OS
Molecular Weight419.49 g/mol
Exact Mass419.12
IUPAC Name(2R)-N-(4-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
SMILESCc1ccccc1-n1nnnc1S[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C22H18FN5OS/c1-15-7-5-6-10-19(15)28-22(25-26-27-28)30-20(16-8-3-2-4-9-16)21(29)24-18-13-11-17(23)12-14-18/h2-14,20H,1H3,(H,24,29)/t20-/m1/s1
InChIKeyBTRDNLRFFOWTSO-HXUWFJFHSA-N
XLogP4.58
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(4-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 2505068
N-(3-methoxyphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 16508637
N-(4-fluorophenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 4802905
N-(3-acetylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 16508641
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)-2-phenylacetamide
CID 16535961
N-(3-acetylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 46812114
(2S)-N-(3-fluoro-4-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9462531
N-(4-acetylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16508636
N-(4-tert-butylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16508705
(2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)propanamide
CID 7877974
2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 4793006
N-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 3998130

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide?
The IUPAC name of (2R)-N-(4-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide (CID 2505071) is (2R)-N-(4-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(4-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide?
The canonical SMILES for (2R)-N-(4-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide is Cc1ccccc1-n1nnnc1S[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (2R)-N-(4-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide?
The InChIKey is BTRDNLRFFOWTSO-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H18FN5OS/c1-15-7-5-6-10-19(15)28-22(25-26-27-28)30-20(16-8-3-2-4-9-16)21(29)24-18-13-11-17(23)12-14-18/h2-14,20H,1H3,(H,24,29)/t20-/m1/s1.
What are the key properties of (2R)-N-(4-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide?
(2R)-N-(4-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide has a molecular weight of 419.49 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide is sourced from PubChem (CID 2505071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).