N-(3-methoxyphenyl)-N-[(2-phenylphenyl)methyl]-2-propan-2-ylsulfanylbenzamide

C30H29NO2S — CID 10226943

IUPACN-(3-methoxyphenyl)-N-[(2-phenylphenyl)methyl]-2-propan-2-ylsulfanylbenzamide
SMILESCOc1cccc(N(Cc2ccccc2-c2ccccc2)C(=O)c2ccccc2SC(C)C)c1
InChIInChI=1S/C30H29NO2S/c1-22(2)34-29-19-10-9-18-28(29)30(32)31(25-15-11-16-26(20-25)33-3)21-24-14-7-8-17-27(24)23-12-5-4-6-13-23/h4-20,22H,21H2,1-3H3
InChIKeyVSNNKXMXKMIFLE-UHFFFAOYSA-N
MW467.63 g/mol
LogP7.71
Rot. Bonds8

About N-(3-methoxyphenyl)-N-[(2-phenylphenyl)methyl]-2-propan-2-ylsulfanylbenzamide

N-(3-methoxyphenyl)-N-[(2-phenylphenyl)methyl]-2-propan-2-ylsulfanylbenzamide (PubChem CID 10226943) has the molecular formula C30H29NO2S and a molecular weight of 467.63 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N-[(2-phenylphenyl)methyl]-2-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N-[(2-phenylphenyl)methyl]-2-propan-2-ylsulfanylbenzamide
PubChem CID10226943
Molecular FormulaC30H29NO2S
Molecular Weight467.63 g/mol
Exact Mass467.19
IUPAC NameN-(3-methoxyphenyl)-N-[(2-phenylphenyl)methyl]-2-propan-2-ylsulfanylbenzamide
SMILESCOc1cccc(N(Cc2ccccc2-c2ccccc2)C(=O)c2ccccc2SC(C)C)c1
InChIInChI=1S/C30H29NO2S/c1-22(2)34-29-19-10-9-18-28(29)30(32)31(25-15-11-16-26(20-25)33-3)21-24-14-7-8-17-27(24)23-12-5-4-6-13-23/h4-20,22H,21H2,1-3H3
InChIKeyVSNNKXMXKMIFLE-UHFFFAOYSA-N
XLogP7.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.63
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 150811208
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CID 151214684
N-[1-(3-methoxyphenyl)ethyl]-2-phenylbenzamide
CID 154835213
N-(2,3-dihydro-1H-inden-2-yl)-N-[(3-methoxyphenyl)methyl]-2-phenylbenzamide
CID 91173289
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methoxyphenyl)acetamide
CID 5036839
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CID 80757234
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CID 132670959

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N-[(2-phenylphenyl)methyl]-2-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-(3-methoxyphenyl)-N-[(2-phenylphenyl)methyl]-2-propan-2-ylsulfanylbenzamide (CID 10226943) is N-(3-methoxyphenyl)-N-[(2-phenylphenyl)methyl]-2-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-N-[(2-phenylphenyl)methyl]-2-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-(3-methoxyphenyl)-N-[(2-phenylphenyl)methyl]-2-propan-2-ylsulfanylbenzamide is COc1cccc(N(Cc2ccccc2-c2ccccc2)C(=O)c2ccccc2SC(C)C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-N-[(2-phenylphenyl)methyl]-2-propan-2-ylsulfanylbenzamide?
The InChIKey is VSNNKXMXKMIFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO2S/c1-22(2)34-29-19-10-9-18-28(29)30(32)31(25-15-11-16-26(20-25)33-3)21-24-14-7-8-17-27(24)23-12-5-4-6-13-23/h4-20,22H,21H2,1-3H3.
What are the key properties of N-(3-methoxyphenyl)-N-[(2-phenylphenyl)methyl]-2-propan-2-ylsulfanylbenzamide?
N-(3-methoxyphenyl)-N-[(2-phenylphenyl)methyl]-2-propan-2-ylsulfanylbenzamide has a molecular weight of 467.63 g/mol, XLogP of 7.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N-[(2-phenylphenyl)methyl]-2-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 10226943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).