N-[(2-chlorophenyl)methyl]-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide

C19H20ClN5OS — CID 55483018

IUPACN-[(2-chlorophenyl)methyl]-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCc1cccc(C)c1-n1nnnc1SCCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C19H20ClN5OS/c1-13-6-5-7-14(2)18(13)25-19(22-23-24-25)27-11-10-17(26)21-12-15-8-3-4-9-16(15)20/h3-9H,10-12H2,1-2H3,(H,21,26)
InChIKeyVWKYZFNKCDQSJH-UHFFFAOYSA-N
MW401.92 g/mol
LogP3.73
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide

N-[(2-chlorophenyl)methyl]-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 55483018) has the molecular formula C19H20ClN5OS and a molecular weight of 401.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID55483018
Molecular FormulaC19H20ClN5OS
Molecular Weight401.92 g/mol
Exact Mass401.11
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCc1cccc(C)c1-n1nnnc1SCCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C19H20ClN5OS/c1-13-6-5-7-14(2)18(13)25-19(22-23-24-25)27-11-10-17(26)21-12-15-8-3-4-9-16(15)20/h3-9H,10-12H2,1-2H3,(H,21,26)
InChIKeyVWKYZFNKCDQSJH-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-chlorophenyl)methyl]-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide 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-ethyl-3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 3678773
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylacetamide
CID 26650117
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7533110
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide
CID 7660892
N-[(2-chlorophenyl)methyl]-3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 55482457
3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)propanamide
CID 4584339
N-[(2-chlorophenyl)methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 51244952
3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropan-1-ol
CID 110878049
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-propan-2-ylacetamide
CID 7660881
N-[(2-chlorophenyl)methyl]-3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 134040164
N-[2-(3-chlorophenyl)ethyl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8917136
N-[(2-chlorophenyl)methyl]-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propanamide
CID 55482175

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide (CID 55483018) is N-[(2-chlorophenyl)methyl]-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide is Cc1cccc(C)c1-n1nnnc1SCCC(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is VWKYZFNKCDQSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5OS/c1-13-6-5-7-14(2)18(13)25-19(22-23-24-25)27-11-10-17(26)21-12-15-8-3-4-9-16(15)20/h3-9H,10-12H2,1-2H3,(H,21,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide?
N-[(2-chlorophenyl)methyl]-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 401.92 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 55483018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).