N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

C23H21N5OS — CID 30876231

IUPACN-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1ccc(Sc2ccc(NC(=O)Cc3ccc(-n4cnnn4)cc3)cc2)c(C)c1
InChIInChI=1S/C23H21N5OS/c1-16-3-12-22(17(2)13-16)30-21-10-6-19(7-11-21)25-23(29)14-18-4-8-20(9-5-18)28-15-24-26-27-28/h3-13,15H,14H2,1-2H3,(H,25,29)
InChIKeyWHOZNLHJVVPJCY-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.61
Rot. Bonds6

About N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 30876231) has the molecular formula C23H21N5OS and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID30876231
Molecular FormulaC23H21N5OS
Molecular Weight415.52 g/mol
Exact Mass415.15
IUPAC NameN-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1ccc(Sc2ccc(NC(=O)Cc3ccc(-n4cnnn4)cc3)cc2)c(C)c1
InChIInChI=1S/C23H21N5OS/c1-16-3-12-22(17(2)13-16)30-21-10-6-19(7-11-21)25-23(29)14-18-4-8-20(9-5-18)28-15-24-26-27-28/h3-13,15H,14H2,1-2H3,(H,25,29)
InChIKeyWHOZNLHJVVPJCY-UHFFFAOYSA-N
XLogP4.61
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(tetrazol-1-yl)phenyl]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-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18079837
2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729305
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 47025716
N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 26891133
2-(4-acetamidophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 33001295
2-(cyanomethylsulfanyl)-N-[4-(2,4-dimethylphenyl)sulfanylphenyl]acetamide
CID 39909937
N-[4-(tetrazol-1-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7930070
2-[4-(tetrazol-1-yl)phenyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 78863578
N-[4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]phenyl]furan-2-carboxamide
CID 30896780
(E)-3-(2,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 167933207
3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 61260719
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55633392

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 30876231) is N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is Cc1ccc(Sc2ccc(NC(=O)Cc3ccc(-n4cnnn4)cc3)cc2)c(C)c1.
What is the InChIKey of N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is WHOZNLHJVVPJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5OS/c1-16-3-12-22(17(2)13-16)30-21-10-6-19(7-11-21)25-23(29)14-18-4-8-20(9-5-18)28-15-24-26-27-28/h3-13,15H,14H2,1-2H3,(H,25,29).
What are the key properties of N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 415.52 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 30876231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).