N-(2-methylbutan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide

C15H21N5OS — CID 134037851

IUPACN-(2-methylbutan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESCCC(C)(C)NC(=O)C(C)Sc1nnnn1-c1ccccc1
InChIInChI=1S/C15H21N5OS/c1-5-15(3,4)16-13(21)11(2)22-14-17-18-19-20(14)12-9-7-6-8-10-12/h6-11H,5H2,1-4H3,(H,16,21)
InChIKeyNHJQHXBDFRNGBE-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.45
Rot. Bonds6

About N-(2-methylbutan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide

N-(2-methylbutan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 134037851) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
PubChem CID134037851
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC NameN-(2-methylbutan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESCCC(C)(C)NC(=O)C(C)Sc1nnnn1-c1ccccc1
InChIInChI=1S/C15H21N5OS/c1-5-15(3,4)16-13(21)11(2)22-14-17-18-19-20(14)12-9-7-6-8-10-12/h6-11H,5H2,1-4H3,(H,16,21)
InChIKeyNHJQHXBDFRNGBE-UHFFFAOYSA-N
XLogP2.45
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 51233862
(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2621223
(2S)-N-(2-methoxyethyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 9274391
N-(1-phenylbutyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 51183645
(2R)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide
CID 9274512
(2S)-N-[(4-methylphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 9274463
(2S)-N-(4-bromophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 7762355
N,N-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 17398164
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-tert-butylpropanamide
CID 46572655
(2S)-N-(4-phenoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2586128
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
CID 51234344
(2R)-N-naphthalen-2-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 7762411

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (CID 134037851) is N-(2-methylbutan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is CCC(C)(C)NC(=O)C(C)Sc1nnnn1-c1ccccc1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is NHJQHXBDFRNGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-5-15(3,4)16-13(21)11(2)22-14-17-18-19-20(14)12-9-7-6-8-10-12/h6-11H,5H2,1-4H3,(H,16,21).
What are the key properties of N-(2-methylbutan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
N-(2-methylbutan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 319.43 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 134037851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).