3-(1-methyltetrazol-5-yl)sulfanyl-N-[(2R)-2-phenylbutyl]propanamide

C15H21N5OS — CID 94645213

IUPAC3-(1-methyltetrazol-5-yl)sulfanyl-N-[(2R)-2-phenylbutyl]propanamide
SMILESCC[C@@H](CNC(=O)CCSc1nnnn1C)c1ccccc1
InChIInChI=1S/C15H21N5OS/c1-3-12(13-7-5-4-6-8-13)11-16-14(21)9-10-22-15-17-18-19-20(15)2/h4-8,12H,3,9-11H2,1-2H3,(H,16,21)/t12-/m0/s1
InChIKeyABRGLCVEUYKCBR-LBPRGKRZSA-N
MW319.43 g/mol
LogP2.00
Rot. Bonds8

About 3-(1-methyltetrazol-5-yl)sulfanyl-N-[(2R)-2-phenylbutyl]propanamide

3-(1-methyltetrazol-5-yl)sulfanyl-N-[(2R)-2-phenylbutyl]propanamide (PubChem CID 94645213) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-(1-methyltetrazol-5-yl)sulfanyl-N-[(2R)-2-phenylbutyl]propanamide.

Molecular Properties

Compound Name3-(1-methyltetrazol-5-yl)sulfanyl-N-[(2R)-2-phenylbutyl]propanamide
PubChem CID94645213
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name3-(1-methyltetrazol-5-yl)sulfanyl-N-[(2R)-2-phenylbutyl]propanamide
SMILESCC[C@@H](CNC(=O)CCSc1nnnn1C)c1ccccc1
InChIInChI=1S/C15H21N5OS/c1-3-12(13-7-5-4-6-8-13)11-16-14(21)9-10-22-15-17-18-19-20(15)2/h4-8,12H,3,9-11H2,1-2H3,(H,16,21)/t12-/m0/s1
InChIKeyABRGLCVEUYKCBR-LBPRGKRZSA-N
XLogP2.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-phenylpropyl)acetamide
CID 2096429
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 2362783
N-Benzyl-2-(1-butyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 3212943
2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4875437
1-[2-(3-fluorophenyl)ethyl]-N-{2-[(1-methyl-1H-tetrazol-5-yl)thio]ethyl}-6-oxo-3-piperidinecarboxamide
CID 24793025
2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4878952
N-Benzyl-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 649791
N-(benzylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2091512
2-(1-Cyclohexyl-1H-tetrazol-5-ylsulfanyl)-N-phenethyl-acetamide
CID 644440
2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-N-phenethyl-acetamide
CID 652875

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyltetrazol-5-yl)sulfanyl-N-[(2R)-2-phenylbutyl]propanamide?
The IUPAC name of 3-(1-methyltetrazol-5-yl)sulfanyl-N-[(2R)-2-phenylbutyl]propanamide (CID 94645213) is 3-(1-methyltetrazol-5-yl)sulfanyl-N-[(2R)-2-phenylbutyl]propanamide.
What is the SMILES notation for 3-(1-methyltetrazol-5-yl)sulfanyl-N-[(2R)-2-phenylbutyl]propanamide?
The canonical SMILES for 3-(1-methyltetrazol-5-yl)sulfanyl-N-[(2R)-2-phenylbutyl]propanamide is CC[C@@H](CNC(=O)CCSc1nnnn1C)c1ccccc1.
What is the InChIKey of 3-(1-methyltetrazol-5-yl)sulfanyl-N-[(2R)-2-phenylbutyl]propanamide?
The InChIKey is ABRGLCVEUYKCBR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-3-12(13-7-5-4-6-8-13)11-16-14(21)9-10-22-15-17-18-19-20(15)2/h4-8,12H,3,9-11H2,1-2H3,(H,16,21)/t12-/m0/s1.
What are the key properties of 3-(1-methyltetrazol-5-yl)sulfanyl-N-[(2R)-2-phenylbutyl]propanamide?
3-(1-methyltetrazol-5-yl)sulfanyl-N-[(2R)-2-phenylbutyl]propanamide has a molecular weight of 319.43 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyltetrazol-5-yl)sulfanyl-N-[(2R)-2-phenylbutyl]propanamide is sourced from PubChem (CID 94645213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).