N-[4-(4-chlorophenoxy)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C16H14ClN5O2S — CID 1301813

IUPACN-[4-(4-chlorophenoxy)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClN5O2S/c1-22-16(19-20-21-22)25-10-15(23)18-12-4-8-14(9-5-12)24-13-6-2-11(17)3-7-13/h2-9H,10H2,1H3,(H,18,23)
InChIKeyXAOHGFJOYNFDBD-UHFFFAOYSA-N
MW375.84 g/mol
LogP3.39
Rot. Bonds6

About N-[4-(4-chlorophenoxy)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-[4-(4-chlorophenoxy)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 1301813) has the molecular formula C16H14ClN5O2S and a molecular weight of 375.84 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID1301813
Molecular FormulaC16H14ClN5O2S
Molecular Weight375.84 g/mol
Exact Mass375.06
IUPAC NameN-[4-(4-chlorophenoxy)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClN5O2S/c1-22-16(19-20-21-22)25-10-15(23)18-12-4-8-14(9-5-12)24-13-6-2-11(17)3-7-13/h2-9H,10H2,1H3,(H,18,23)
InChIKeyXAOHGFJOYNFDBD-UHFFFAOYSA-N
XLogP3.39
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Propanamide, N-(4-methoxyphenyl)-3-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]-
CID 3916392
N-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 847552
N-(4-butoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2164243
N-[4-(4-chlorophenoxy)phenyl]-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135410963
2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 853705
N-(4-Benzyloxy-phenyl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 649645
N-[4-(4-ethoxyphenoxy)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2460456
2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-N-(4-ethoxy-phenyl)-acetamide
CID 3228980
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 853704
2-(1-Cyclohexyl-1H-tetrazol-5-ylsulfanyl)-N-(4-methoxy-phenyl)-acetamide
CID 857377
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-(4-methoxy-phenyl)-acetamide
CID 864256
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
CID 864596

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 1301813) is N-[4-(4-chlorophenoxy)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-(4-chlorophenoxy)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is XAOHGFJOYNFDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2S/c1-22-16(19-20-21-22)25-10-15(23)18-12-4-8-14(9-5-12)24-13-6-2-11(17)3-7-13/h2-9H,10H2,1H3,(H,18,23).
What are the key properties of N-[4-(4-chlorophenoxy)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-[4-(4-chlorophenoxy)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 375.84 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 1301813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).