N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C25H24N4O3S — CID 24602270

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCOc1cc(CNC(=O)CSc2ncn(-c3ccccc3)n2)ccc1OCc1ccccc1
InChIInChI=1S/C25H24N4O3S/c1-31-23-14-20(12-13-22(23)32-16-19-8-4-2-5-9-19)15-26-24(30)17-33-25-27-18-29(28-25)21-10-6-3-7-11-21/h2-14,18H,15-17H2,1H3,(H,26,30)
InChIKeyKYJBGRYBJHPWJM-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.26
Rot. Bonds10

About N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 24602270) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID24602270
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCOc1cc(CNC(=O)CSc2ncn(-c3ccccc3)n2)ccc1OCc1ccccc1
InChIInChI=1S/C25H24N4O3S/c1-31-23-14-20(12-13-22(23)32-16-19-8-4-2-5-9-19)15-26-24(30)17-33-25-27-18-29(28-25)21-10-6-3-7-11-21/h2-14,18H,15-17H2,1H3,(H,26,30)
InChIKeyKYJBGRYBJHPWJM-UHFFFAOYSA-N
XLogP4.26
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide with MolForge

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42493426
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 24578546
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 24633380
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 86908679
2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 24602470
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzamide
CID 32651524
4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutanoate
CID 9151302
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide
CID 2707709
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 33042340
4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 120559289

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 24602270) is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is COc1cc(CNC(=O)CSc2ncn(-c3ccccc3)n2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is KYJBGRYBJHPWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-31-23-14-20(12-13-22(23)32-16-19-8-4-2-5-9-19)15-26-24(30)17-33-25-27-18-29(28-25)21-10-6-3-7-11-21/h2-14,18H,15-17H2,1H3,(H,26,30).
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 460.56 g/mol, XLogP of 4.26, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 24602270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).