N-(2-chloro-4-phenylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide

C25H18ClN5OS — CID 5275100

IUPACN-(2-chloro-4-phenylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc2ccccc12)Nc1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C25H18ClN5OS/c26-21-15-19(17-7-2-1-3-8-17)13-14-22(21)27-24(32)16-33-25-28-29-30-31(25)23-12-6-10-18-9-4-5-11-20(18)23/h1-15H,16H2,(H,27,32)
InChIKeyWGLGVHJLEMUUGY-UHFFFAOYSA-N
MW471.97 g/mol
LogP5.87
Rot. Bonds6

About N-(2-chloro-4-phenylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide

N-(2-chloro-4-phenylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide (PubChem CID 5275100) has the molecular formula C25H18ClN5OS and a molecular weight of 471.97 g/mol. Its IUPAC name is N-(2-chloro-4-phenylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chloro-4-phenylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
PubChem CID5275100
Molecular FormulaC25H18ClN5OS
Molecular Weight471.97 g/mol
Exact Mass471.09
IUPAC NameN-(2-chloro-4-phenylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc2ccccc12)Nc1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C25H18ClN5OS/c26-21-15-19(17-7-2-1-3-8-17)13-14-22(21)27-24(32)16-33-25-28-29-30-31(25)23-12-6-10-18-9-4-5-11-20(18)23/h1-15H,16H2,(H,27,32)
InChIKeyWGLGVHJLEMUUGY-UHFFFAOYSA-N
XLogP5.87
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.97
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-phenylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2-chloro-4-phenylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide (CID 5275100) is N-(2-chloro-4-phenylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-chloro-4-phenylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2-chloro-4-phenylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1cccc2ccccc12)Nc1ccc(-c2ccccc2)cc1Cl.
What is the InChIKey of N-(2-chloro-4-phenylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The InChIKey is WGLGVHJLEMUUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN5OS/c26-21-15-19(17-7-2-1-3-8-17)13-14-22(21)27-24(32)16-33-25-28-29-30-31(25)23-12-6-10-18-9-4-5-11-20(18)23/h1-15H,16H2,(H,27,32).
What are the key properties of N-(2-chloro-4-phenylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
N-(2-chloro-4-phenylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide has a molecular weight of 471.97 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-phenylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 5275100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).