N-(1,2-diphenylethyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide

C23H23N5OS2 — CID 24572533

IUPACN-(1,2-diphenylethyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1CCc1cccs1)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H23N5OS2/c29-22(17-31-23-25-26-27-28(23)14-13-20-12-7-15-30-20)24-21(19-10-5-2-6-11-19)16-18-8-3-1-4-9-18/h1-12,15,21H,13-14,16-17H2,(H,24,29)
InChIKeyGSDJCEHSEXETIX-UHFFFAOYSA-N
MW449.61 g/mol
LogP4.17
Rot. Bonds10

About N-(1,2-diphenylethyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide

N-(1,2-diphenylethyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 24572533) has the molecular formula C23H23N5OS2 and a molecular weight of 449.61 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID24572533
Molecular FormulaC23H23N5OS2
Molecular Weight449.61 g/mol
Exact Mass449.13
IUPAC NameN-(1,2-diphenylethyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1CCc1cccs1)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H23N5OS2/c29-22(17-31-23-25-26-27-28(23)14-13-20-12-7-15-30-20)24-21(19-10-5-2-6-11-19)16-18-8-3-1-4-9-18/h1-12,15,21H,13-14,16-17H2,(H,24,29)
InChIKeyGSDJCEHSEXETIX-UHFFFAOYSA-N
XLogP4.17
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.61
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide
CID 24665793
N-(1,2-diphenylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 46813778
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1,2-diphenylethyl)acetamide
CID 18098953
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(1,2-diphenylethyl)acetamide
CID 18098761
N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 32711288
1-(4-chlorophenyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethanone
CID 17394088
2-(1-propyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 655852
1-phenoxy-3-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropan-2-ol
CID 42886752
2-(1-methyltetrazol-5-yl)sulfanyl-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9231124
2-(1-methyltetrazol-5-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9231123
2-phenyl-4-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 24574257
N-(3-methyl-1-phenylbutyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide
CID 60564225

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(1,2-diphenylethyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide (CID 24572533) is N-(1,2-diphenylethyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(1,2-diphenylethyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(1,2-diphenylethyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide is O=C(CSc1nnnn1CCc1cccs1)NC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,2-diphenylethyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is GSDJCEHSEXETIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5OS2/c29-22(17-31-23-25-26-27-28(23)14-13-20-12-7-15-30-20)24-21(19-10-5-2-6-11-19)16-18-8-3-1-4-9-18/h1-12,15,21H,13-14,16-17H2,(H,24,29).
What are the key properties of N-(1,2-diphenylethyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide?
N-(1,2-diphenylethyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 449.61 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 24572533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).