2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1R)-3-methyl-1-phenylbutyl]acetamide

C17H23N5OS — CID 51560897

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
SMILESCC(C)C[C@@H](NC(=O)CSc1nnnn1C1CC1)c1ccccc1
InChIInChI=1S/C17H23N5OS/c1-12(2)10-15(13-6-4-3-5-7-13)18-16(23)11-24-17-19-20-21-22(17)14-8-9-14/h3-7,12,14-15H,8-11H2,1-2H3,(H,18,23)/t15-/m1/s1
InChIKeyFXBGXTYHERXHGC-OAHLLOKOSA-N
MW345.47 g/mol
LogP3.00
Rot. Bonds8

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1R)-3-methyl-1-phenylbutyl]acetamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1R)-3-methyl-1-phenylbutyl]acetamide (PubChem CID 51560897) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1R)-3-methyl-1-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
PubChem CID51560897
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
SMILESCC(C)C[C@@H](NC(=O)CSc1nnnn1C1CC1)c1ccccc1
InChIInChI=1S/C17H23N5OS/c1-12(2)10-15(13-6-4-3-5-7-13)18-16(23)11-24-17-19-20-21-22(17)14-8-9-14/h3-7,12,14-15H,8-11H2,1-2H3,(H,18,23)/t15-/m1/s1
InChIKeyFXBGXTYHERXHGC-OAHLLOKOSA-N
XLogP3.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-phenylbutyl)acetamide
CID 51259000
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1,2-diphenylethyl)acetamide
CID 18098953
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1,1-diphenylpropan-2-yl)acetamide
CID 55632212
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 40702766
2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8723611
2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N,2-diphenylacetamide
CID 55779290
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 47124185
N-(3-methyl-1-phenylbutyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide
CID 60564225
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(2S)-2-phenylbutyl]acetamide
CID 27096825
methyl (2S)-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-phenylpropanoate
CID 25437754
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-methylbutyl)acetamide
CID 27096193
2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8722826

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1R)-3-methyl-1-phenylbutyl]acetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1R)-3-methyl-1-phenylbutyl]acetamide (CID 51560897) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1R)-3-methyl-1-phenylbutyl]acetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1R)-3-methyl-1-phenylbutyl]acetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1R)-3-methyl-1-phenylbutyl]acetamide is CC(C)C[C@@H](NC(=O)CSc1nnnn1C1CC1)c1ccccc1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1R)-3-methyl-1-phenylbutyl]acetamide?
The InChIKey is FXBGXTYHERXHGC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-12(2)10-15(13-6-4-3-5-7-13)18-16(23)11-24-17-19-20-21-22(17)14-8-9-14/h3-7,12,14-15H,8-11H2,1-2H3,(H,18,23)/t15-/m1/s1.
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1R)-3-methyl-1-phenylbutyl]acetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1R)-3-methyl-1-phenylbutyl]acetamide has a molecular weight of 345.47 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1R)-3-methyl-1-phenylbutyl]acetamide is sourced from PubChem (CID 51560897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).