2-[methyl-[2-phenylsulfanyl-1-(2H-tetrazol-5-yl)ethyl]amino]-N-(4-phenoxyphenyl)acetamide

C24H24N6O2S — CID 146657690

IUPAC2-[methyl-[2-phenylsulfanyl-1-(2H-tetrazol-5-yl)ethyl]amino]-N-(4-phenoxyphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)C(CSc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C24H24N6O2S/c1-30(22(24-26-28-29-27-24)17-33-21-10-6-3-7-11-21)16-23(31)25-18-12-14-20(15-13-18)32-19-8-4-2-5-9-19/h2-15,22H,16-17H2,1H3,(H,25,31)(H,26,27,28,29)
InChIKeyNGALOVCCFUGJRV-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.40
Rot. Bonds10

About 2-[methyl-[2-phenylsulfanyl-1-(2H-tetrazol-5-yl)ethyl]amino]-N-(4-phenoxyphenyl)acetamide

2-[methyl-[2-phenylsulfanyl-1-(2H-tetrazol-5-yl)ethyl]amino]-N-(4-phenoxyphenyl)acetamide (PubChem CID 146657690) has the molecular formula C24H24N6O2S and a molecular weight of 460.56 g/mol. Its IUPAC name is 2-[methyl-[2-phenylsulfanyl-1-(2H-tetrazol-5-yl)ethyl]amino]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-phenylsulfanyl-1-(2H-tetrazol-5-yl)ethyl]amino]-N-(4-phenoxyphenyl)acetamide
PubChem CID146657690
Molecular FormulaC24H24N6O2S
Molecular Weight460.56 g/mol
Exact Mass460.17
IUPAC Name2-[methyl-[2-phenylsulfanyl-1-(2H-tetrazol-5-yl)ethyl]amino]-N-(4-phenoxyphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)C(CSc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C24H24N6O2S/c1-30(22(24-26-28-29-27-24)17-33-21-10-6-3-7-11-21)16-23(31)25-18-12-14-20(15-13-18)32-19-8-4-2-5-9-19/h2-15,22H,16-17H2,1H3,(H,25,31)(H,26,27,28,29)
InChIKeyNGALOVCCFUGJRV-UHFFFAOYSA-N
XLogP4.40
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-phenylsulfanyl-1-(2H-tetrazol-5-yl)ethyl]amino]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[methyl-[2-phenylsulfanyl-1-(2H-tetrazol-5-yl)ethyl]amino]-N-(4-phenoxyphenyl)acetamide (CID 146657690) is 2-[methyl-[2-phenylsulfanyl-1-(2H-tetrazol-5-yl)ethyl]amino]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-phenylsulfanyl-1-(2H-tetrazol-5-yl)ethyl]amino]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-phenylsulfanyl-1-(2H-tetrazol-5-yl)ethyl]amino]-N-(4-phenoxyphenyl)acetamide is CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)C(CSc1ccccc1)c1nn[nH]n1.
What is the InChIKey of 2-[methyl-[2-phenylsulfanyl-1-(2H-tetrazol-5-yl)ethyl]amino]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is NGALOVCCFUGJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2S/c1-30(22(24-26-28-29-27-24)17-33-21-10-6-3-7-11-21)16-23(31)25-18-12-14-20(15-13-18)32-19-8-4-2-5-9-19/h2-15,22H,16-17H2,1H3,(H,25,31)(H,26,27,28,29).
What are the key properties of 2-[methyl-[2-phenylsulfanyl-1-(2H-tetrazol-5-yl)ethyl]amino]-N-(4-phenoxyphenyl)acetamide?
2-[methyl-[2-phenylsulfanyl-1-(2H-tetrazol-5-yl)ethyl]amino]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 460.56 g/mol, XLogP of 4.40, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-phenylsulfanyl-1-(2H-tetrazol-5-yl)ethyl]amino]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 146657690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).