N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-2-(5-phenyltetrazol-2-yl)acetamide

C16H17N5O2S — CID 96567083

IUPACN-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESC[C@](O)(CNC(=O)Cn1nnc(-c2ccccc2)n1)c1ccsc1
InChIInChI=1S/C16H17N5O2S/c1-16(23,13-7-8-24-10-13)11-17-14(22)9-21-19-15(18-20-21)12-5-3-2-4-6-12/h2-8,10,23H,9,11H2,1H3,(H,17,22)/t16-/m0/s1
InChIKeyRYWQGGPYENEQJM-INIZCTEOSA-N
MW343.41 g/mol
LogP1.43
Rot. Bonds6

About N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-2-(5-phenyltetrazol-2-yl)acetamide

N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 96567083) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID96567083
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESC[C@](O)(CNC(=O)Cn1nnc(-c2ccccc2)n1)c1ccsc1
InChIInChI=1S/C16H17N5O2S/c1-16(23,13-7-8-24-10-13)11-17-14(22)9-21-19-15(18-20-21)12-5-3-2-4-6-12/h2-8,10,23H,9,11H2,1H3,(H,17,22)/t16-/m0/s1
InChIKeyRYWQGGPYENEQJM-INIZCTEOSA-N
XLogP1.43
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide
CID 97319859
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
N-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508157
N-[2-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 111452114
N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-phenylpent-4-enamide
CID 111451822
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
CID 111452236
N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 3188669
N-(2-hydroxyethyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 43416200
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8684981
N-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 119498184
N-(2-ethylbutyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 115612942

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-2-(5-phenyltetrazol-2-yl)acetamide (CID 96567083) is N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-2-(5-phenyltetrazol-2-yl)acetamide is C[C@](O)(CNC(=O)Cn1nnc(-c2ccccc2)n1)c1ccsc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is RYWQGGPYENEQJM-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-16(23,13-7-8-24-10-13)11-17-14(22)9-21-19-15(18-20-21)12-5-3-2-4-6-12/h2-8,10,23H,9,11H2,1H3,(H,17,22)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 343.41 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 96567083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).