N-[(4-chlorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide

C19H20ClN5OS — CID 7561413

IUPACN-[(4-chlorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC(C)c1ccc(-n2nnnc2SCC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClN5OS/c1-13(2)15-5-9-17(10-6-15)25-19(22-23-24-25)27-12-18(26)21-11-14-3-7-16(20)8-4-14/h3-10,13H,11-12H2,1-2H3,(H,21,26)
InChIKeyLKWWJIZUTUUWOK-UHFFFAOYSA-N
MW401.92 g/mol
LogP3.85
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide

N-[(4-chlorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 7561413) has the molecular formula C19H20ClN5OS and a molecular weight of 401.92 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID7561413
Molecular FormulaC19H20ClN5OS
Molecular Weight401.92 g/mol
Exact Mass401.11
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC(C)c1ccc(-n2nnnc2SCC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClN5OS/c1-13(2)15-5-9-17(10-6-15)25-19(22-23-24-25)27-12-18(26)21-11-14-3-7-16(20)8-4-14/h3-10,13H,11-12H2,1-2H3,(H,21,26)
InChIKeyLKWWJIZUTUUWOK-UHFFFAOYSA-N
XLogP3.85
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-chlorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7534457
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 30999700
N-[(2-fluorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8804407
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 9360103
2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 7561500
N-(3-methylbutan-2-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 18776157
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 16535769
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 2610107
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
CID 2610241
tert-butyl-[3-[[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]propyl]azanium
CID 8804385
N-(3-methylbutylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8658997
N-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1405245

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 7561413) is N-[(4-chlorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide is CC(C)c1ccc(-n2nnnc2SCC(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is LKWWJIZUTUUWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5OS/c1-13(2)15-5-9-17(10-6-15)25-19(22-23-24-25)27-12-18(26)21-11-14-3-7-16(20)8-4-14/h3-10,13H,11-12H2,1-2H3,(H,21,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-[(4-chlorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 401.92 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 7561413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).