N-(2-benzoyl-4-chlorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide

C24H20ClN5O3S — CID 4802280

IUPACN-(2-benzoyl-4-chlorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C24H20ClN5O3S/c1-2-33-21-11-7-6-10-20(21)30-24(27-28-29-30)34-15-22(31)26-19-13-12-17(25)14-18(19)23(32)16-8-4-3-5-9-16/h3-14H,2,15H2,1H3,(H,26,31)
InChIKeyKMURZGBRHAROOJ-UHFFFAOYSA-N
MW493.98 g/mol
LogP4.68
Rot. Bonds9

About N-(2-benzoyl-4-chlorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide

N-(2-benzoyl-4-chlorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 4802280) has the molecular formula C24H20ClN5O3S and a molecular weight of 493.98 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID4802280
Molecular FormulaC24H20ClN5O3S
Molecular Weight493.98 g/mol
Exact Mass493.10
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C24H20ClN5O3S/c1-2-33-21-11-7-6-10-20(21)30-24(27-28-29-30)34-15-22(31)26-19-13-12-17(25)14-18(19)23(32)16-8-4-3-5-9-16/h3-14H,2,15H2,1H3,(H,26,31)
InChIKeyKMURZGBRHAROOJ-UHFFFAOYSA-N
XLogP4.68
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.98
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-chlorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2614104
N-(5-chloro-2,4-dimethoxyphenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 36534099
N-(4-acetamidophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16537052
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-phenoxyphenyl)acetamide
CID 16537053
N'-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-fluorobenzohydrazide
CID 16536997
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2613804
N-[2-(cyanomethylsulfanyl)phenyl]-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 27160013
N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2613850
2-[[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]thiophene-3-carboxamide
CID 5036823
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 16536987
N-(4-chlorophenyl)-2-[[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
CID 55399673
ethyl N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]carbamate
CID 2632750

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 4802280) is N-(2-benzoyl-4-chlorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide is CCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is KMURZGBRHAROOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O3S/c1-2-33-21-11-7-6-10-20(21)30-24(27-28-29-30)34-15-22(31)26-19-13-12-17(25)14-18(19)23(32)16-8-4-3-5-9-16/h3-14H,2,15H2,1H3,(H,26,31).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(2-benzoyl-4-chlorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 493.98 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 4802280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).