N-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-[4-(phenoxymethyl)triazol-1-yl]acetamide

C24H23N5O5S — CID 72725406

IUPACN-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-[4-(phenoxymethyl)triazol-1-yl]acetamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)Cn2cc(COc3ccccc3)nn2)cc1Oc1ccccc1
InChIInChI=1S/C24H23N5O5S/c1-35(31,32)27-22-13-12-18(14-23(22)34-21-10-6-3-7-11-21)25-24(30)16-29-15-19(26-28-29)17-33-20-8-4-2-5-9-20/h2-15,27H,16-17H2,1H3,(H,25,30)
InChIKeyCBDFSLDQVHDBNF-UHFFFAOYSA-N
MW493.55 g/mol
LogP3.66
Rot. Bonds10

About N-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-[4-(phenoxymethyl)triazol-1-yl]acetamide

N-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-[4-(phenoxymethyl)triazol-1-yl]acetamide (PubChem CID 72725406) has the molecular formula C24H23N5O5S and a molecular weight of 493.55 g/mol. Its IUPAC name is N-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-[4-(phenoxymethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-[4-(phenoxymethyl)triazol-1-yl]acetamide
PubChem CID72725406
Molecular FormulaC24H23N5O5S
Molecular Weight493.55 g/mol
Exact Mass493.14
IUPAC NameN-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-[4-(phenoxymethyl)triazol-1-yl]acetamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)Cn2cc(COc3ccccc3)nn2)cc1Oc1ccccc1
InChIInChI=1S/C24H23N5O5S/c1-35(31,32)27-22-13-12-18(14-23(22)34-21-10-6-3-7-11-21)25-24(30)16-29-15-19(26-28-29)17-33-20-8-4-2-5-9-20/h2-15,27H,16-17H2,1H3,(H,25,30)
InChIKeyCBDFSLDQVHDBNF-UHFFFAOYSA-N
XLogP3.66
TPSA124.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.55
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-[4-(phenoxymethyl)triazol-1-yl]acetamide?
The IUPAC name of N-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-[4-(phenoxymethyl)triazol-1-yl]acetamide (CID 72725406) is N-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-[4-(phenoxymethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-[4-(phenoxymethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-[4-(phenoxymethyl)triazol-1-yl]acetamide is CS(=O)(=O)Nc1ccc(NC(=O)Cn2cc(COc3ccccc3)nn2)cc1Oc1ccccc1.
What is the InChIKey of N-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-[4-(phenoxymethyl)triazol-1-yl]acetamide?
The InChIKey is CBDFSLDQVHDBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O5S/c1-35(31,32)27-22-13-12-18(14-23(22)34-21-10-6-3-7-11-21)25-24(30)16-29-15-19(26-28-29)17-33-20-8-4-2-5-9-20/h2-15,27H,16-17H2,1H3,(H,25,30).
What are the key properties of N-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-[4-(phenoxymethyl)triazol-1-yl]acetamide?
N-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-[4-(phenoxymethyl)triazol-1-yl]acetamide has a molecular weight of 493.55 g/mol, XLogP of 3.66, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-[4-(phenoxymethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 72725406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).