N-(2-methylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide

C14H17N5OS — CID 60563872

IUPACN-(2-methylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide
SMILESC=CCn1nnnc1SC(C)C(=O)Nc1ccccc1C
InChIInChI=1S/C14H17N5OS/c1-4-9-19-14(16-17-18-19)21-11(3)13(20)15-12-8-6-5-7-10(12)2/h4-8,11H,1,9H2,2-3H3,(H,15,20)
InChIKeyCWFFWXFMHZIPDM-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.29
Rot. Bonds6

About N-(2-methylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide

N-(2-methylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 60563872) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide
PubChem CID60563872
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC NameN-(2-methylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide
SMILESC=CCn1nnnc1SC(C)C(=O)Nc1ccccc1C
InChIInChI=1S/C14H17N5OS/c1-4-9-19-14(16-17-18-19)21-11(3)13(20)15-12-8-6-5-7-10(12)2/h4-8,11H,1,9H2,2-3H3,(H,15,20)
InChIKeyCWFFWXFMHZIPDM-UHFFFAOYSA-N
XLogP2.29
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(1-prop-2-enyltetrazol-5-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55996383
N-naphthalen-2-yl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide
CID 60564109
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide
CID 51270251
(2S)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)propanamide
CID 6550766
N-[2-(difluoromethoxy)phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide
CID 51270329
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide
CID 16508706
(2S)-N-(2-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7646697
(2R)-N-(2-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7646698
(2S)-N-(2-ethoxyphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8738051
(2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide
CID 8797973
(2R)-N-(2-acetylphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8738068
N-(2-acetylphenyl)-2-[[5-(2-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 112797690

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-(2-methylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide (CID 60563872) is N-(2-methylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-(2-methylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-(2-methylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide is C=CCn1nnnc1SC(C)C(=O)Nc1ccccc1C.
What is the InChIKey of N-(2-methylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is CWFFWXFMHZIPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-4-9-19-14(16-17-18-19)21-11(3)13(20)15-12-8-6-5-7-10(12)2/h4-8,11H,1,9H2,2-3H3,(H,15,20).
What are the key properties of N-(2-methylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide?
N-(2-methylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 303.39 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 60563872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).