N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide

C14H16ClN5O2S — CID 56735268

IUPACN-(3-chloro-2-morpholin-4-ylphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide
SMILESO=C(CSc1cn[nH]n1)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C14H16ClN5O2S/c15-10-2-1-3-11(14(10)20-4-6-22-7-5-20)17-12(21)9-23-13-8-16-19-18-13/h1-3,8H,4-7,9H2,(H,17,21)(H,16,18,19)
InChIKeyVECJCSNIJUISLF-UHFFFAOYSA-N
MW353.84 g/mol
LogP2.03
Rot. Bonds5

About N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide

N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide (PubChem CID 56735268) has the molecular formula C14H16ClN5O2S and a molecular weight of 353.84 g/mol. Its IUPAC name is N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-morpholin-4-ylphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide
PubChem CID56735268
Molecular FormulaC14H16ClN5O2S
Molecular Weight353.84 g/mol
Exact Mass353.07
IUPAC NameN-(3-chloro-2-morpholin-4-ylphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide
SMILESO=C(CSc1cn[nH]n1)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C14H16ClN5O2S/c15-10-2-1-3-11(14(10)20-4-6-22-7-5-20)17-12(21)9-23-13-8-16-19-18-13/h1-3,8H,4-7,9H2,(H,17,21)(H,16,18,19)
InChIKeyVECJCSNIJUISLF-UHFFFAOYSA-N
XLogP2.03
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.84
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide
CID 134064845
N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3569422
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 41270501
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 167828485
N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4274087
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 41269093
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide
CID 31242447
N-naphthalen-1-yl-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6492812
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide
CID 24603904
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(4-iodophenoxy)acetamide
CID 55507135
7-amino-N-(3-chloro-2-morpholin-4-ylphenyl)heptanamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
The IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide (CID 56735268) is N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
The canonical SMILES for N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide is O=C(CSc1cn[nH]n1)Nc1cccc(Cl)c1N1CCOCC1.
What is the InChIKey of N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
The InChIKey is VECJCSNIJUISLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O2S/c15-10-2-1-3-11(14(10)20-4-6-22-7-5-20)17-12(21)9-23-13-8-16-19-18-13/h1-3,8H,4-7,9H2,(H,17,21)(H,16,18,19).
What are the key properties of N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide has a molecular weight of 353.84 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide is sourced from PubChem (CID 56735268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).