2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide

C14H18N6O2S — CID 647118

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCn1nnnc1SCC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C14H18N6O2S/c1-19-14(16-17-18-19)23-10-13(21)15-11-4-2-3-5-12(11)20-6-8-22-9-7-20/h2-5H,6-10H2,1H3,(H,15,21)
InChIKeyHUVLVEFXNRYMQX-UHFFFAOYSA-N
MW334.41 g/mol
LogP0.78
Rot. Bonds5

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide

2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 647118) has the molecular formula C14H18N6O2S and a molecular weight of 334.41 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID647118
Molecular FormulaC14H18N6O2S
Molecular Weight334.41 g/mol
Exact Mass334.12
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCn1nnnc1SCC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C14H18N6O2S/c1-19-14(16-17-18-19)23-10-13(21)15-11-4-2-3-5-12(11)20-6-8-22-9-7-20/h2-5H,6-10H2,1H3,(H,15,21)
InChIKeyHUVLVEFXNRYMQX-UHFFFAOYSA-N
XLogP0.78
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-morpholinophenyl)acetamide
CID 854128
2-[(1-ethyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1-(4-phenylpiperazino)-1-ethanone
CID 2810020
2-(1-Isopropyl-1H-tetrazol-5-ylsulfanyl)-N-(2-morpholin-4-yl-phenyl)-acetamide
CID 645894
2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-N-(2-piperidin-1-yl-phenyl)-acetamide
CID 652811
1-Morpholin-4-yl-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
CID 851331
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 1383754
2-(1-Butyl-1H-tetrazol-5-ylsulfanyl)-N-(4-dimethylamino-phenyl)-acetamide
CID 3212954
2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(2-nitrophenyl)acetamide
CID 4105778
2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 4789868
4-[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
CID 9361830
N-(4-Dimethylamino-phenyl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 855255
ethyl 2-(N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]anilino)acetate
CID 8934279

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide (CID 647118) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide is Cn1nnnc1SCC(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is HUVLVEFXNRYMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2S/c1-19-14(16-17-18-19)23-10-13(21)15-11-4-2-3-5-12(11)20-6-8-22-9-7-20/h2-5H,6-10H2,1H3,(H,15,21).
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 334.41 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 647118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).