N-(5-chloro-2-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C14H17ClN6O2S — CID 53338622

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C14H17ClN6O2S/c1-20-14(17-18-19-20)24-9-13(22)16-11-8-10(15)2-3-12(11)21-4-6-23-7-5-21/h2-3,8H,4-7,9H2,1H3,(H,16,22)
InChIKeyPMPSTGIVMYCGLG-UHFFFAOYSA-N
MW368.85 g/mol
LogP1.43
Rot. Bonds5

About N-(5-chloro-2-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(5-chloro-2-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 53338622) has the molecular formula C14H17ClN6O2S and a molecular weight of 368.85 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID53338622
Molecular FormulaC14H17ClN6O2S
Molecular Weight368.85 g/mol
Exact Mass368.08
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C14H17ClN6O2S/c1-20-14(17-18-19-20)24-9-13(22)16-11-8-10(15)2-3-12(11)21-4-6-23-7-5-21/h2-3,8H,4-7,9H2,1H3,(H,16,22)
InChIKeyPMPSTGIVMYCGLG-UHFFFAOYSA-N
XLogP1.43
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-chloro-2-morpholin-4-ylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 4263706
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 1295863
N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3525490
N-(5-chloro-2-morpholin-4-ylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 3536832
2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 9231136
N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4032094
2-[2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 24981722
N-(5-chloro-2-morpholin-4-ylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide
CID 134064794
2-[2-(azepan-1-yl)ethylsulfanyl]-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide
CID 134064781
(3Z)-3-amino-N-(5-chloro-2-morpholin-4-ylphenyl)-3-hydroxyiminopropanamide
CID 16777669
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide
CID 4000590
N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18081333

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 53338622) is N-(5-chloro-2-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)Nc1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is PMPSTGIVMYCGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6O2S/c1-20-14(17-18-19-20)24-9-13(22)16-11-8-10(15)2-3-12(11)21-4-6-23-7-5-21/h2-3,8H,4-7,9H2,1H3,(H,16,22).
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 368.85 g/mol, XLogP of 1.43, 5 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-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 53338622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).