N-benzhydryl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide

C26H21N5OS — CID 1244330

IUPACN-benzhydryl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc2ccccc12)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21N5OS/c32-24(27-25(20-11-3-1-4-12-20)21-13-5-2-6-14-21)18-33-26-28-29-30-31(26)23-17-9-15-19-10-7-8-16-22(19)23/h1-17,25H,18H2,(H,27,32)
InChIKeyJFGUEFHEBFKTHK-UHFFFAOYSA-N
MW451.56 g/mol
LogP4.81
Rot. Bonds7

About N-benzhydryl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide

N-benzhydryl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide (PubChem CID 1244330) has the molecular formula C26H21N5OS and a molecular weight of 451.56 g/mol. Its IUPAC name is N-benzhydryl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
PubChem CID1244330
Molecular FormulaC26H21N5OS
Molecular Weight451.56 g/mol
Exact Mass451.15
IUPAC NameN-benzhydryl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc2ccccc12)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21N5OS/c32-24(27-25(20-11-3-1-4-12-20)21-13-5-2-6-14-21)18-33-26-28-29-30-31(26)23-17-9-15-19-10-7-8-16-22(19)23/h1-17,25H,18H2,(H,27,32)
InChIKeyJFGUEFHEBFKTHK-UHFFFAOYSA-N
XLogP4.81
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.56
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-phenylacetamide
CID 2265468
N-(2-chlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 5275073
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 7647417
2-[5-[2-(benzhydrylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]acetic acid
CID 5302586
N-(1-naphthalen-1-ylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 46797235
2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-sulfamoylphenyl)acetamide
CID 5275084
N-[(2-hydroxyphenyl)methylideneamino]-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 137228450
N-[(E)-(4-fluorophenyl)methylideneamino]-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 71588657
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8798833
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 8691771
N-[(E)-(3-chlorophenyl)methylideneamino]-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 71588654
N-(1,2-diphenylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 46813778

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-benzhydryl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide (CID 1244330) is N-benzhydryl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-benzhydryl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-benzhydryl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1cccc2ccccc12)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The InChIKey is JFGUEFHEBFKTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5OS/c32-24(27-25(20-11-3-1-4-12-20)21-13-5-2-6-14-21)18-33-26-28-29-30-31(26)23-17-9-15-19-10-7-8-16-22(19)23/h1-17,25H,18H2,(H,27,32).
What are the key properties of N-benzhydryl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
N-benzhydryl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide has a molecular weight of 451.56 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 1244330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).