2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C19H22N6O2S — CID 119069503

IUPAC2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1nnnc1C(c1ccccc1)N1CCOCC1)NCc1cccs1
InChIInChI=1S/C19H22N6O2S/c26-17(20-13-16-7-4-12-28-16)14-25-19(21-22-23-25)18(15-5-2-1-3-6-15)24-8-10-27-11-9-24/h1-7,12,18H,8-11,13-14H2,(H,20,26)
InChIKeyXIWAWIQVUJNMEZ-UHFFFAOYSA-N
MW398.49 g/mol
LogP1.47
Rot. Bonds7

About 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 119069503) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID119069503
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC Name2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1nnnc1C(c1ccccc1)N1CCOCC1)NCc1cccs1
InChIInChI=1S/C19H22N6O2S/c26-17(20-13-16-7-4-12-28-16)14-25-19(21-22-23-25)18(15-5-2-1-3-6-15)24-8-10-27-11-9-24/h1-7,12,18H,8-11,13-14H2,(H,20,26)
InChIKeyXIWAWIQVUJNMEZ-UHFFFAOYSA-N
XLogP1.47
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(5-methylpyrazin-2-yl)methyl]-2-[5-[(R)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide
CID 126448833
2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide
CID 86285524
N-tert-butyl-2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide
CID 86284396
1,4-bis[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 98111414
4-[(1-benzyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine
CID 648580
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(S)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide
CID 126425349
1-[(S)-(4-methylphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 1448401
1-(2-fluorophenyl)-4-[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 1447798
1-(4-methoxyphenyl)-4-[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 1447806
2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid
CID 43521795
N'-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 30835462
4-[(S)-phenyl-[1-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]tetrazol-5-yl]methyl]morpholine
CID 95047119

Frequently Asked Questions

What is the IUPAC name of 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 119069503) is 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide is O=C(Cn1nnnc1C(c1ccccc1)N1CCOCC1)NCc1cccs1.
What is the InChIKey of 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is XIWAWIQVUJNMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c26-17(20-13-16-7-4-12-28-16)14-25-19(21-22-23-25)18(15-5-2-1-3-6-15)24-8-10-27-11-9-24/h1-7,12,18H,8-11,13-14H2,(H,20,26).
What are the key properties of 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 398.49 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 119069503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).