N-(2,4-dimethylphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide

C19H21N5OS — CID 51203329

IUPACN-(2,4-dimethylphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCc1cccc(-n2nnnc2SC(C)C(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C19H21N5OS/c1-12-6-5-7-16(11-12)24-19(21-22-23-24)26-15(4)18(25)20-17-9-8-13(2)10-14(17)3/h5-11,15H,1-4H3,(H,20,25)
InChIKeyPQLAVDDAFPSXDC-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.71
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide

N-(2,4-dimethylphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 51203329) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID51203329
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC NameN-(2,4-dimethylphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCc1cccc(-n2nnnc2SC(C)C(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C19H21N5OS/c1-12-6-5-7-16(11-12)24-19(21-22-23-24)26-15(4)18(25)20-17-9-8-13(2)10-14(17)3/h5-11,15H,1-4H3,(H,20,25)
InChIKeyPQLAVDDAFPSXDC-UHFFFAOYSA-N
XLogP3.71
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 51234651
N-(2,4-dimethylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 51236439
N-(2,5-dimethylphenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 24500620
(2R)-N-(4-methoxyphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7464589
(2S)-N-(4-methoxyphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7464587
N-[(4-methylphenyl)methyl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 51234847
N-(2,6-dimethylphenyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 51234661
(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)propanamide
CID 9061759
(2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide
CID 7802002
N-(2,5-dimethylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 46630197
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide
CID 7474082
N-(5-chloro-2-methylphenyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 55418180

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide (CID 51203329) is N-(2,4-dimethylphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide is Cc1cccc(-n2nnnc2SC(C)C(=O)Nc2ccc(C)cc2C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is PQLAVDDAFPSXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-12-6-5-7-16(11-12)24-19(21-22-23-24)26-15(4)18(25)20-17-9-8-13(2)10-14(17)3/h5-11,15H,1-4H3,(H,20,25).
What are the key properties of N-(2,4-dimethylphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
N-(2,4-dimethylphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 367.48 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 51203329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).