2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide

C20H23N5O3S — CID 24523120

IUPAC2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1cccc(CN(C)C(=O)CSc2nnnn2Cc2ccccc2)c1OC
InChIInChI=1S/C20H23N5O3S/c1-24(13-16-10-7-11-17(27-2)19(16)28-3)18(26)14-29-20-21-22-23-25(20)12-15-8-5-4-6-9-15/h4-11H,12-14H2,1-3H3
InChIKeyUSPZPTQBOMRCPH-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.49
Rot. Bonds9

About 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide

2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide (PubChem CID 24523120) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
PubChem CID24523120
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1cccc(CN(C)C(=O)CSc2nnnn2Cc2ccccc2)c1OC
InChIInChI=1S/C20H23N5O3S/c1-24(13-16-10-7-11-17(27-2)19(16)28-3)18(26)14-29-20-21-22-23-25(20)12-15-8-5-4-6-9-15/h4-11H,12-14H2,1-3H3
InChIKeyUSPZPTQBOMRCPH-UHFFFAOYSA-N
XLogP2.49
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide 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

2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 51259319
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 24573540
N-benzyl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 18077306
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24577551
N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 17486744
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24573689
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 4791616
2-(1-benzyltetrazol-5-yl)sulfanylacetic acid
CID 10800661
2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 9452605
2-(1-benzyltetrazol-5-yl)sulfanylacetamide
CID 893684
2-(1-benzyltetrazol-5-yl)sulfanyl-1-(2,4-dimethoxyphenyl)ethanone
CID 18099111
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide
CID 24578264

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide (CID 24523120) is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide is COc1cccc(CN(C)C(=O)CSc2nnnn2Cc2ccccc2)c1OC.
What is the InChIKey of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is USPZPTQBOMRCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-24(13-16-10-7-11-17(27-2)19(16)28-3)18(26)14-29-20-21-22-23-25(20)12-15-8-5-4-6-9-15/h4-11H,12-14H2,1-3H3.
What are the key properties of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide?
2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 413.50 g/mol, XLogP of 2.49, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 24523120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).