N-(5-chloro-2-morpholin-4-ylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide

C19H18Cl2N6O2S — CID 4263706

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C19H18Cl2N6O2S/c20-13-1-4-15(5-2-13)27-19(23-24-25-27)30-12-18(28)22-16-11-14(21)3-6-17(16)26-7-9-29-10-8-26/h1-6,11H,7-10,12H2,(H,22,28)
InChIKeyNTIPXKOOZUKWKY-UHFFFAOYSA-N
MW465.37 g/mol
LogP3.54
Rot. Bonds6

About N-(5-chloro-2-morpholin-4-ylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide

N-(5-chloro-2-morpholin-4-ylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 4263706) has the molecular formula C19H18Cl2N6O2S and a molecular weight of 465.37 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID4263706
Molecular FormulaC19H18Cl2N6O2S
Molecular Weight465.37 g/mol
Exact Mass464.06
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C19H18Cl2N6O2S/c20-13-1-4-15(5-2-13)27-19(23-24-25-27)30-12-18(28)22-16-11-14(21)3-6-17(16)26-7-9-29-10-8-26/h1-6,11H,7-10,12H2,(H,22,28)
InChIKeyNTIPXKOOZUKWKY-UHFFFAOYSA-N
XLogP3.54
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-chloro-2-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 53338622
N-(5-chloro-2-hydroxyphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 3663323
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,4-dichlorophenyl)acetamide
CID 1348349
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 4265931
N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3525490
N-(4-bromo-2-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 2610371
N-(3-chlorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1328619
N-(5-chloro-2-morpholin-4-ylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 3536832
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 8684087
N-(4-chlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4814769
N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4032094
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 2610379

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide (CID 4263706) is N-(5-chloro-2-morpholin-4-ylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide is O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is NTIPXKOOZUKWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N6O2S/c20-13-1-4-15(5-2-13)27-19(23-24-25-27)30-12-18(28)22-16-11-14(21)3-6-17(16)26-7-9-29-10-8-26/h1-6,11H,7-10,12H2,(H,22,28).
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 465.37 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-morpholin-4-ylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 4263706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).