N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C14H17ClN6O2S — CID 1295863

IUPACN-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H17ClN6O2S/c1-20-14(17-18-19-20)24-9-13(22)16-10-2-3-12(11(15)8-10)21-4-6-23-7-5-21/h2-3,8H,4-7,9H2,1H3,(H,16,22)
InChIKeyABSUROAUXSSOST-UHFFFAOYSA-N
MW368.85 g/mol
LogP1.43
Rot. Bonds5

About N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 1295863) has the molecular formula C14H17ClN6O2S and a molecular weight of 368.85 g/mol. Its IUPAC name is N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID1295863
Molecular FormulaC14H17ClN6O2S
Molecular Weight368.85 g/mol
Exact Mass368.08
IUPAC NameN-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H17ClN6O2S/c1-20-14(17-18-19-20)24-9-13(22)16-10-2-3-12(11(15)8-10)21-4-6-23-7-5-21/h2-3,8H,4-7,9H2,1H3,(H,16,22)
InChIKeyABSUROAUXSSOST-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

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 53338622
2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-morpholin-4-ylphenyl)acetamide
CID 18773662
2-(1-methyltetrazol-5-yl)sulfanyl-N-[7-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]naphthalen-2-yl]acetamide
CID 17325042
4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 24665525
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 2981140
2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]acetamide
CID 3564635
N-(3,4-dichlorophenyl)-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8838182
N-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide
CID 960696
N-(2,3-dihydro-1H-inden-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2479441
N-(3-chloro-4-methylphenyl)-2-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 27753248
N-(3,4-dichlorophenyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1088767
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 51088887

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 1295863) is N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is ABSUROAUXSSOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6O2S/c1-20-14(17-18-19-20)24-9-13(22)16-10-2-3-12(11(15)8-10)21-4-6-23-7-5-21/h2-3,8H,4-7,9H2,1H3,(H,16,22).
What are the key properties of N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(3-chloro-4-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-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 1295863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).