N-(3-cyanophenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide

C15H18N6OS — CID 46648435

IUPACN-(3-cyanophenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCC(C)Cn1nnnc1SC(C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H18N6OS/c1-10(2)9-21-15(18-19-20-21)23-11(3)14(22)17-13-6-4-5-12(7-13)8-16/h4-7,10-11H,9H2,1-3H3,(H,17,22)
InChIKeyJNXKLADMZFTLNH-UHFFFAOYSA-N
MW330.42 g/mol
LogP2.32
Rot. Bonds6

About N-(3-cyanophenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide

N-(3-cyanophenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 46648435) has the molecular formula C15H18N6OS and a molecular weight of 330.42 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID46648435
Molecular FormulaC15H18N6OS
Molecular Weight330.42 g/mol
Exact Mass330.13
IUPAC NameN-(3-cyanophenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCC(C)Cn1nnnc1SC(C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H18N6OS/c1-10(2)9-21-15(18-19-20-21)23-11(3)14(22)17-13-6-4-5-12(7-13)8-16/h4-7,10-11H,9H2,1-3H3,(H,17,22)
InChIKeyJNXKLADMZFTLNH-UHFFFAOYSA-N
XLogP2.32
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-cyanophenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 51184709
(2S)-N-(3-cyanophenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide
CID 7224544
N-[4-(difluoromethylsulfanyl)phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide
CID 42923560
N-(4-acetylphenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide
CID 51270221
(2S)-2-[[5-(3-amino-3-oxopropyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanophenyl)propanamide
CID 8964103
(2R)-2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(3-cyanophenyl)propanamide
CID 9267593
(2R)-2-(1-ethyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)propanamide
CID 41260469
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide
CID 51270251
(2S)-2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(3-cyanophenyl)propanamide
CID 9274086
(2S)-2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanophenyl)propanamide
CID 7845394
(2S)-N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 40529318
N-(3-cyanophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 17459603

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of N-(3-cyanophenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide (CID 46648435) is N-(3-cyanophenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide is CC(C)Cn1nnnc1SC(C)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is JNXKLADMZFTLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6OS/c1-10(2)9-21-15(18-19-20-21)23-11(3)14(22)17-13-6-4-5-12(7-13)8-16/h4-7,10-11H,9H2,1-3H3,(H,17,22).
What are the key properties of N-(3-cyanophenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide?
N-(3-cyanophenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 330.42 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 46648435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).