N-ethyl-3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide

C13H17N5OS — CID 3678773

IUPACN-ethyl-3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCCNC(=O)CCSc1nnnn1-c1ccccc1C
InChIInChI=1S/C13H17N5OS/c1-3-14-12(19)8-9-20-13-15-16-17-18(13)11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,14,19)
InChIKeyRLIZTGOMDMVXJU-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.59
Rot. Bonds6

About N-ethyl-3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide

N-ethyl-3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 3678773) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-ethyl-3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-ethyl-3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID3678773
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC NameN-ethyl-3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCCNC(=O)CCSc1nnnn1-c1ccccc1C
InChIInChI=1S/C13H17N5OS/c1-3-14-12(19)8-9-20-13-15-16-17-18(13)11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,14,19)
InChIKeyRLIZTGOMDMVXJU-UHFFFAOYSA-N
XLogP1.59
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
CID 3503382
N-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethyl]acetamide
CID 17394512
N-benzyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2420493
N-cyclohexyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2986131
N-(2-ethylphenyl)-2-[[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]acetamide
CID 8686214
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N',N'-diphenylacetohydrazide
CID 3369531
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 7647417
N-(3,5-dimethylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5137050
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 27015628
N-[(2-chlorophenyl)methyl]-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 55483018
3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 16649469
N-[2-(2-fluorophenyl)ethyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8686311

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of N-ethyl-3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide (CID 3678773) is N-ethyl-3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for N-ethyl-3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for N-ethyl-3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide is CCNC(=O)CCSc1nnnn1-c1ccccc1C.
What is the InChIKey of N-ethyl-3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is RLIZTGOMDMVXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-3-14-12(19)8-9-20-13-15-16-17-18(13)11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,14,19).
What are the key properties of N-ethyl-3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
N-ethyl-3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 291.38 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 3678773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).