N-(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C25H21N7OS — CID 2947864

IUPACN-(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCC1=Nc2ccccc2N=C(NC(=O)CSc2nnnn2-c2ccccc2)C1c1ccccc1
InChIInChI=1S/C25H21N7OS/c1-17-23(18-10-4-2-5-11-18)24(27-21-15-9-8-14-20(21)26-17)28-22(33)16-34-25-29-30-31-32(25)19-12-6-3-7-13-19/h2-15,23H,16H2,1H3,(H,27,28,33)
InChIKeyXGPDNZGMDPNJSO-UHFFFAOYSA-N
MW467.56 g/mol
LogP4.49
Rot. Bonds5

About N-(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 2947864) has the molecular formula C25H21N7OS and a molecular weight of 467.56 g/mol. Its IUPAC name is N-(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID2947864
Molecular FormulaC25H21N7OS
Molecular Weight467.56 g/mol
Exact Mass467.15
IUPAC NameN-(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCC1=Nc2ccccc2N=C(NC(=O)CSc2nnnn2-c2ccccc2)C1c1ccccc1
InChIInChI=1S/C25H21N7OS/c1-17-23(18-10-4-2-5-11-18)24(27-21-15-9-8-14-20(21)26-17)28-22(33)16-34-25-29-30-31-32(25)19-12-6-3-7-13-19/h2-15,23H,16H2,1H3,(H,27,28,33)
InChIKeyXGPDNZGMDPNJSO-UHFFFAOYSA-N
XLogP4.49
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.56
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide 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-[(3S)-3-(3,4-dimethoxyphenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 41091268
N-(4,6-dimethylpyrimidin-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 888613
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
N-(4-ethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 555650
N-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 982894
2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
CID 853335
2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 578136
N-(2,6-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 705223
N-(2-methyl-3H-benzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 6499887
N,N-diethyl-4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 7762487
N-(2-fluoro-5-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2950071
2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 18874212

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 2947864) is N-(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is CC1=Nc2ccccc2N=C(NC(=O)CSc2nnnn2-c2ccccc2)C1c1ccccc1.
What is the InChIKey of N-(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is XGPDNZGMDPNJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7OS/c1-17-23(18-10-4-2-5-11-18)24(27-21-15-9-8-14-20(21)26-17)28-22(33)16-34-25-29-30-31-32(25)19-12-6-3-7-13-19/h2-15,23H,16H2,1H3,(H,27,28,33).
What are the key properties of N-(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 467.56 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 2947864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).