(2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide

C18H19N5OS — CID 7877912

IUPAC(2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
SMILESCc1ccc(C)c(-n2nnnc2S[C@@H](C)C(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H19N5OS/c1-12-9-10-13(2)16(11-12)23-18(20-21-22-23)25-14(3)17(24)19-15-7-5-4-6-8-15/h4-11,14H,1-3H3,(H,19,24)/t14-/m0/s1
InChIKeyTUHDEYOKVMHRBT-AWEZNQCLSA-N
MW353.45 g/mol
LogP3.40
Rot. Bonds5

About (2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide

(2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide (PubChem CID 7877912) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is (2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
PubChem CID7877912
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name(2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
SMILESCc1ccc(C)c(-n2nnnc2S[C@@H](C)C(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H19N5OS/c1-12-9-10-13(2)16(11-12)23-18(20-21-22-23)25-14(3)17(24)19-15-7-5-4-6-8-15/h4-11,14H,1-3H3,(H,19,24)/t14-/m0/s1
InChIKeyTUHDEYOKVMHRBT-AWEZNQCLSA-N
XLogP3.40
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)propanamide
CID 7877974
(2R)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 7878048
(2S)-N-(2,6-difluorophenyl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9494023
(2R)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 41001171
(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2621223
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide
CID 51184636
N-(3-chlorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16508638
(2S)-N-(3-fluoro-4-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9462531
(2R)-N-(3,5-dichlorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7646116
(2S)-N-(3,5-dichlorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7646114
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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide?
The IUPAC name of (2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide (CID 7877912) is (2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide?
The canonical SMILES for (2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide is Cc1ccc(C)c(-n2nnnc2S[C@@H](C)C(=O)Nc2ccccc2)c1.
What is the InChIKey of (2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide?
The InChIKey is TUHDEYOKVMHRBT-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-12-9-10-13(2)16(11-12)23-18(20-21-22-23)25-14(3)17(24)19-15-7-5-4-6-8-15/h4-11,14H,1-3H3,(H,19,24)/t14-/m0/s1.
What are the key properties of (2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide?
(2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide has a molecular weight of 353.45 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide is sourced from PubChem (CID 7877912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).