2-(1-benzyltetrazol-5-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide

C19H21N5OS — CID 42041421

IUPAC2-(1-benzyltetrazol-5-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide
SMILESCCN(C(=O)CSc1nnnn1Cc1ccccc1)c1ccccc1C
InChIInChI=1S/C19H21N5OS/c1-3-23(17-12-8-7-9-15(17)2)18(25)14-26-19-20-21-22-24(19)13-16-10-5-4-6-11-16/h4-12H,3,13-14H2,1-2H3
InChIKeyHIBQQIYNDAQZOF-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.18
Rot. Bonds7

About 2-(1-benzyltetrazol-5-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide

2-(1-benzyltetrazol-5-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide (PubChem CID 42041421) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide
PubChem CID42041421
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide
SMILESCCN(C(=O)CSc1nnnn1Cc1ccccc1)c1ccccc1C
InChIInChI=1S/C19H21N5OS/c1-3-23(17-12-8-7-9-15(17)2)18(25)14-26-19-20-21-22-24(19)13-16-10-5-4-6-11-16/h4-12H,3,13-14H2,1-2H3
InChIKeyHIBQQIYNDAQZOF-UHFFFAOYSA-N
XLogP3.18
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1-benzyltetrazol-5-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)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

2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 27135865
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide
CID 55468227
2-(1-benzyltetrazol-5-yl)sulfanylacetic acid
CID 10800661
2-(1-benzyltetrazol-5-yl)sulfanylacetamide
CID 893684
3-(N-[2-(1-benzyltetrazol-5-yl)sulfanylacetyl]-4-methoxyanilino)propanamide
CID 24574097
2-(1-benzyltetrazol-5-yl)sulfanyl-N-tert-butylacetamide
CID 51258381
2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylacetamide
CID 9440891
2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 51259319
2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclohexyl-N-phenylacetamide
CID 9450800
N-ethyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 24567690
2-(1-benzyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 17392960
N-[4-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
CID 16570887

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide (CID 42041421) is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide is CCN(C(=O)CSc1nnnn1Cc1ccccc1)c1ccccc1C.
What is the InChIKey of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide?
The InChIKey is HIBQQIYNDAQZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-3-23(17-12-8-7-9-15(17)2)18(25)14-26-19-20-21-22-24(19)13-16-10-5-4-6-11-16/h4-12H,3,13-14H2,1-2H3.
What are the key properties of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide?
2-(1-benzyltetrazol-5-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide has a molecular weight of 367.48 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 42041421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).