(2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide

C19H21N5OS — CID 8797844

IUPAC(2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide
SMILESCc1cccc(-n2nnnc2S[C@H](C)C(=O)N(C)c2ccccc2)c1C
InChIInChI=1S/C19H21N5OS/c1-13-9-8-12-17(14(13)2)24-19(20-21-22-24)26-15(3)18(25)23(4)16-10-6-5-7-11-16/h5-12,15H,1-4H3/t15-/m1/s1
InChIKeyXEVLXCKAIQHCGJ-OAHLLOKOSA-N
MW367.48 g/mol
LogP3.42
Rot. Bonds5

About (2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide

(2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide (PubChem CID 8797844) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is (2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide
PubChem CID8797844
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name(2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide
SMILESCc1cccc(-n2nnnc2S[C@H](C)C(=O)N(C)c2ccccc2)c1C
InChIInChI=1S/C19H21N5OS/c1-13-9-8-12-17(14(13)2)24-19(20-21-22-24)26-15(3)18(25)23(4)16-10-6-5-7-11-16/h5-12,15H,1-4H3/t15-/m1/s1
InChIKeyXEVLXCKAIQHCGJ-OAHLLOKOSA-N
XLogP3.42
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide
CID 7474072
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-dimethylpropanamide
CID 51210202
(2R)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide
CID 7365414
(2S)-N-benzyl-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7646715
1-(2,3-dimethylphenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole
CID 8798481
N,N-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 17398164
(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 25363493
(2S)-N-(2-chlorophenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 42497225
(2R)-N-(2-chlorophenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 42497224
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 8797894
(2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide
CID 8797973
(2S)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(1R)-1-phenylbutyl]propanamide
CID 8799309

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide?
The IUPAC name of (2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide (CID 8797844) is (2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide?
The canonical SMILES for (2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide is Cc1cccc(-n2nnnc2S[C@H](C)C(=O)N(C)c2ccccc2)c1C.
What is the InChIKey of (2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide?
The InChIKey is XEVLXCKAIQHCGJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-13-9-8-12-17(14(13)2)24-19(20-21-22-24)26-15(3)18(25)23(4)16-10-6-5-7-11-16/h5-12,15H,1-4H3/t15-/m1/s1.
What are the key properties of (2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide?
(2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide has a molecular weight of 367.48 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 8797844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).