N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C12H14ClN5OS — CID 2103750

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN5OS/c1-18-12(15-16-17-18)20-8-11(19)14-7-6-9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3,(H,14,19)
InChIKeyWSIFCKJNDYLTSE-UHFFFAOYSA-N
MW311.80 g/mol
LogP1.31
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 2103750) has the molecular formula C12H14ClN5OS and a molecular weight of 311.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID2103750
Molecular FormulaC12H14ClN5OS
Molecular Weight311.80 g/mol
Exact Mass311.06
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN5OS/c1-18-12(15-16-17-18)20-8-11(19)14-7-6-9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3,(H,14,19)
InChIKeyWSIFCKJNDYLTSE-UHFFFAOYSA-N
XLogP1.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.80
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2406429
N-[2-(2,4-dichlorophenyl)ethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2408348
N-[2-(4-chlorophenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2460641
2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-phenylpropyl)acetamide
CID 2096429
N-(4-chlorobenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride
CID 2976228
N-[(4-chlorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2343389
N-[(4-chlorophenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine
CID 6485929
2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide
CID 2999176
2-(1-Isopropyl-1H-tetrazol-5-ylsulfanyl)-N-phenethyl-acetamide
CID 3212968
1-(4-chlorobenzyl)-N-{2-[(1-methyl-1H-tetrazol-5-yl)thio]ethyl}-6-oxo-3-piperidinecarboxamide
CID 24792100
N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 774828
N-[(4-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 975710

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 2103750) is N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is WSIFCKJNDYLTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5OS/c1-18-12(15-16-17-18)20-8-11(19)14-7-6-9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3,(H,14,19).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 311.80 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 2103750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).