N-(1,2-diphenylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C23H21N5OS — CID 46813778

IUPACN-(1,2-diphenylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H21N5OS/c29-22(17-30-23-25-26-27-28(23)20-14-8-3-9-15-20)24-21(19-12-6-2-7-13-19)16-18-10-4-1-5-11-18/h1-15,21H,16-17H2,(H,24,29)
InChIKeyUVDPMBBZZSWCBQ-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.85
Rot. Bonds8

About N-(1,2-diphenylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-(1,2-diphenylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 46813778) has the molecular formula C23H21N5OS and a molecular weight of 415.52 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID46813778
Molecular FormulaC23H21N5OS
Molecular Weight415.52 g/mol
Exact Mass415.15
IUPAC NameN-(1,2-diphenylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H21N5OS/c29-22(17-30-23-25-26-27-28(23)20-14-8-3-9-15-20)24-21(19-12-6-2-7-13-19)16-18-10-4-1-5-11-18/h1-15,21H,16-17H2,(H,24,29)
InChIKeyUVDPMBBZZSWCBQ-UHFFFAOYSA-N
XLogP3.85
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,2-diphenylethyl)-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

2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(1,2-diphenylethyl)acetamide
CID 18098761
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1,2-diphenylethyl)acetamide
CID 18098953
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8659020
N-(1,2-diphenylethyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42741765
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 7757116
2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylbutyl]acetamide
CID 7563038
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 18076417
N-(1,2-diphenylethyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide
CID 24572533
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2524493
N-[1-(3-chlorophenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 18131067
N-[2-(dimethylamino)-2-phenylethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 42982990

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(1,2-diphenylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 46813778) is N-(1,2-diphenylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(1,2-diphenylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(1,2-diphenylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1ccccc1)NC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,2-diphenylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is UVDPMBBZZSWCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5OS/c29-22(17-30-23-25-26-27-28(23)20-14-8-3-9-15-20)24-21(19-12-6-2-7-13-19)16-18-10-4-1-5-11-18/h1-15,21H,16-17H2,(H,24,29).
What are the key properties of N-(1,2-diphenylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(1,2-diphenylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 415.52 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 46813778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).