2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-2-ethylhexyl]acetamide

C19H29N5OS — CID 8977443

IUPAC2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-2-ethylhexyl]acetamide
SMILESCCCC[C@H](CC)CNC(=O)CSc1nnnn1-c1ccc(C)c(C)c1
InChIInChI=1S/C19H29N5OS/c1-5-7-8-16(6-2)12-20-18(25)13-26-19-21-22-23-24(19)17-10-9-14(3)15(4)11-17/h9-11,16H,5-8,12-13H2,1-4H3,(H,20,25)/t16-/m0/s1
InChIKeySWDDQLGKKUERTE-INIZCTEOSA-N
MW375.54 g/mol
LogP3.70
Rot. Bonds10

About 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-2-ethylhexyl]acetamide

2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-2-ethylhexyl]acetamide (PubChem CID 8977443) has the molecular formula C19H29N5OS and a molecular weight of 375.54 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-2-ethylhexyl]acetamide.

Molecular Properties

Compound Name2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-2-ethylhexyl]acetamide
PubChem CID8977443
Molecular FormulaC19H29N5OS
Molecular Weight375.54 g/mol
Exact Mass375.21
IUPAC Name2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-2-ethylhexyl]acetamide
SMILESCCCC[C@H](CC)CNC(=O)CSc1nnnn1-c1ccc(C)c(C)c1
InChIInChI=1S/C19H29N5OS/c1-5-7-8-16(6-2)12-20-18(25)13-26-19-21-22-23-24(19)17-10-9-14(3)15(4)11-17/h9-11,16H,5-8,12-13H2,1-4H3,(H,20,25)/t16-/m0/s1
InChIKeySWDDQLGKKUERTE-INIZCTEOSA-N
XLogP3.70
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-2-ethylhexyl]acetamide 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-butan-2-yl-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 46677048
(2S)-2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide
CID 8977397
N-[3-(tert-butylamino)propyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8977346
N-[(4-chlorophenyl)methyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7534457
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 7534488
N-[(3-chlorophenyl)methyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7661613
N-[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]benzamide
CID 7661538
N-(tert-butylcarbamoyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7534560
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
CID 7661482
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 7534557
N-(2-cyano-3-methylbutan-2-yl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 42918669
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide
CID 8581569

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-2-ethylhexyl]acetamide?
The IUPAC name of 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-2-ethylhexyl]acetamide (CID 8977443) is 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-2-ethylhexyl]acetamide.
What is the SMILES notation for 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-2-ethylhexyl]acetamide?
The canonical SMILES for 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-2-ethylhexyl]acetamide is CCCC[C@H](CC)CNC(=O)CSc1nnnn1-c1ccc(C)c(C)c1.
What is the InChIKey of 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-2-ethylhexyl]acetamide?
The InChIKey is SWDDQLGKKUERTE-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29N5OS/c1-5-7-8-16(6-2)12-20-18(25)13-26-19-21-22-23-24(19)17-10-9-14(3)15(4)11-17/h9-11,16H,5-8,12-13H2,1-4H3,(H,20,25)/t16-/m0/s1.
What are the key properties of 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-2-ethylhexyl]acetamide?
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-2-ethylhexyl]acetamide has a molecular weight of 375.54 g/mol, XLogP of 3.70, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-2-ethylhexyl]acetamide is sourced from PubChem (CID 8977443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).