N-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide

C14H19N5OS — CID 51233862

IUPACN-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESCC(Sc1nnnn1-c1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H19N5OS/c1-10(12(20)15-14(2,3)4)21-13-16-17-18-19(13)11-8-6-5-7-9-11/h5-10H,1-4H3,(H,15,20)
InChIKeyATDYGVJZVNQDJB-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.06
Rot. Bonds4

About N-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide

N-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 51233862) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
PubChem CID51233862
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESCC(Sc1nnnn1-c1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H19N5OS/c1-10(12(20)15-14(2,3)4)21-13-16-17-18-19(13)11-8-6-5-7-9-11/h5-10H,1-4H3,(H,15,20)
InChIKeyATDYGVJZVNQDJB-UHFFFAOYSA-N
XLogP2.06
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylbutan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 134037851
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-tert-butylpropanamide
CID 46572655
(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2621223
(2R)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide
CID 9274512
(2S)-N-(4-bromophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 7762355
(2S)-N-(2-methoxyethyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 9274391
N,N-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 17398164
(2S)-N-[(4-methylphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 9274463
N-(4-phenoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 3574174
(2R)-N-naphthalen-2-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 7762411
(2S)-N-(4-phenoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2586128
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(tert-butylcarbamoyl)propanamide
CID 46572532

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (CID 51233862) is N-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is CC(Sc1nnnn1-c1ccccc1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is ATDYGVJZVNQDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-10(12(20)15-14(2,3)4)21-13-16-17-18-19(13)11-8-6-5-7-9-11/h5-10H,1-4H3,(H,15,20).
What are the key properties of N-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
N-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 305.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 51233862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).