N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

C17H24N6O2S — CID 49152046

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
SMILESCCn1nnnc1SCC(=O)Nc1ccc(N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C17H24N6O2S/c1-4-23-17(19-20-21-23)26-11-16(24)18-14-5-7-15(8-6-14)22-9-12(2)25-13(3)10-22/h5-8,12-13H,4,9-11H2,1-3H3,(H,18,24)
InChIKeyBSLHIFLMGGMASC-UHFFFAOYSA-N
MW376.49 g/mol
LogP2.04
Rot. Bonds6

About N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide (PubChem CID 49152046) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
PubChem CID49152046
Molecular FormulaC17H24N6O2S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
SMILESCCn1nnnc1SCC(=O)Nc1ccc(N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C17H24N6O2S/c1-4-23-17(19-20-21-23)26-11-16(24)18-14-5-7-15(8-6-14)22-9-12(2)25-13(3)10-22/h5-8,12-13H,4,9-11H2,1-3H3,(H,18,24)
InChIKeyBSLHIFLMGGMASC-UHFFFAOYSA-N
XLogP2.04
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 1239751
3-[2-[4-(2,6-dimethylmorpholin-4-yl)anilino]-2-oxoethyl]sulfanylpropanamide
CID 71046184
N-[3-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide
CID 3169643
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 55964414
1-(cyclopropylmethyl)-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea
CID 94336075
N-cyclopentyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 1452223
N-[4-[[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]phenyl]propanamide
CID 43811703
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 864272
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide
CID 4305589
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 4265931
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 3912516
2-[5-[2-[4-[hydroxy(methyl)arsanyl]anilino]-2-oxoethyl]sulfanyltetrazol-1-yl]acetic acid
CID 157270156

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide (CID 49152046) is N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide is CCn1nnnc1SCC(=O)Nc1ccc(N2CC(C)OC(C)C2)cc1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is BSLHIFLMGGMASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2S/c1-4-23-17(19-20-21-23)26-11-16(24)18-14-5-7-15(8-6-14)22-9-12(2)25-13(3)10-22/h5-8,12-13H,4,9-11H2,1-3H3,(H,18,24).
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 376.49 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 49152046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).