N-(2-chloro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide

C16H14ClN5O2S — CID 7474172

IUPACN-(2-chloro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nnnn2-c2ccc(O)cc2)c(Cl)c1
InChIInChI=1S/C16H14ClN5O2S/c1-10-2-7-14(13(17)8-10)18-15(24)9-25-16-19-20-21-22(16)11-3-5-12(23)6-4-11/h2-8,23H,9H2,1H3,(H,18,24)
InChIKeyNJPICMVIZPUPQP-UHFFFAOYSA-N
MW375.84 g/mol
LogP3.06
Rot. Bonds5

About N-(2-chloro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide

N-(2-chloro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 7474172) has the molecular formula C16H14ClN5O2S and a molecular weight of 375.84 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID7474172
Molecular FormulaC16H14ClN5O2S
Molecular Weight375.84 g/mol
Exact Mass375.06
IUPAC NameN-(2-chloro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nnnn2-c2ccc(O)cc2)c(Cl)c1
InChIInChI=1S/C16H14ClN5O2S/c1-10-2-7-14(13(17)8-10)18-15(24)9-25-16-19-20-21-22(16)11-3-5-12(23)6-4-11/h2-8,23H,9H2,1H3,(H,18,24)
InChIKeyNJPICMVIZPUPQP-UHFFFAOYSA-N
XLogP3.06
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-bromo-2-chlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 24571050
N-(2-chloro-4-methylphenyl)-2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5275184
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,4-dichlorophenyl)acetamide
CID 1348349
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 35987244
3-chloro-4-[[2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
CID 5275186
N-(2-chloro-4-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8804256
N-(2,6-dichlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4814771
N-(2-chloro-4-fluorophenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8976822
N-(3,5-dichlorophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2616039
N-(4-chlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4814769
N-(2-chloro-4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2714902
N-(3-chloro-4-methylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2595811

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 7474172) is N-(2-chloro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(O)cc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is NJPICMVIZPUPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2S/c1-10-2-7-14(13(17)8-10)18-15(24)9-25-16-19-20-21-22(16)11-3-5-12(23)6-4-11/h2-8,23H,9H2,1H3,(H,18,24).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(2-chloro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 375.84 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 7474172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).