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

C23H21N5O4S — CID 72725405

IUPACN-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-(4-phenyltriazol-1-yl)acetamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)Cn2cc(-c3ccccc3)nn2)cc1Oc1ccccc1
InChIInChI=1S/C23H21N5O4S/c1-33(30,31)26-20-13-12-18(14-22(20)32-19-10-6-3-7-11-19)24-23(29)16-28-15-21(25-27-28)17-8-4-2-5-9-17/h2-15,26H,16H2,1H3,(H,24,29)
InChIKeyBRPCMEPWYIXAFJ-UHFFFAOYSA-N
MW463.52 g/mol
LogP3.75
Rot. Bonds8

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

N-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-(4-phenyltriazol-1-yl)acetamide (PubChem CID 72725405) has the molecular formula C23H21N5O4S and a molecular weight of 463.52 g/mol. Its IUPAC name is N-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-(4-phenyltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-(4-phenyltriazol-1-yl)acetamide
PubChem CID72725405
Molecular FormulaC23H21N5O4S
Molecular Weight463.52 g/mol
Exact Mass463.13
IUPAC NameN-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-(4-phenyltriazol-1-yl)acetamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)Cn2cc(-c3ccccc3)nn2)cc1Oc1ccccc1
InChIInChI=1S/C23H21N5O4S/c1-33(30,31)26-20-13-12-18(14-22(20)32-19-10-6-3-7-11-19)24-23(29)16-28-15-21(25-27-28)17-8-4-2-5-9-17/h2-15,26H,16H2,1H3,(H,24,29)
InChIKeyBRPCMEPWYIXAFJ-UHFFFAOYSA-N
XLogP3.75
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(4-chlorophenoxy)methyl]triazol-1-yl]-N-[4-(methanesulfonamido)-3-phenoxyphenyl]acetamide
CID 72725454
2-[4-[(4-chloro-3-methylphenoxy)methyl]triazol-1-yl]-N-[4-(methanesulfonamido)-3-phenoxyphenyl]acetamide
CID 72725455
N-(4-bromophenyl)-2-(4-phenyltriazol-1-yl)acetamide
CID 138373884
2-chloro-N-[3-(methanesulfonamido)-4-phenoxyphenyl]acetamide
CID 15285980
4-N-[4-(methanesulfonamido)-3-phenoxyphenyl]benzene-1,4-dicarboxamide
CID 164612899
N-(3-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112521121
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-phenyltriazol-1-yl)acetamide
CID 166220873
N-(3,5-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112523889
N-(2-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112520440
N-(1,3-benzothiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide
CID 162421443
2-[4-[3-[(3-methoxybenzoyl)amino]phenyl]triazol-1-yl]acetic acid
CID 155219854
N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 55639184

Frequently Asked Questions

What is the IUPAC name of N-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-(4-phenyltriazol-1-yl)acetamide?
The IUPAC name of N-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-(4-phenyltriazol-1-yl)acetamide (CID 72725405) is N-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-(4-phenyltriazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-(4-phenyltriazol-1-yl)acetamide?
The canonical SMILES for N-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-(4-phenyltriazol-1-yl)acetamide is CS(=O)(=O)Nc1ccc(NC(=O)Cn2cc(-c3ccccc3)nn2)cc1Oc1ccccc1.
What is the InChIKey of N-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-(4-phenyltriazol-1-yl)acetamide?
The InChIKey is BRPCMEPWYIXAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4S/c1-33(30,31)26-20-13-12-18(14-22(20)32-19-10-6-3-7-11-19)24-23(29)16-28-15-21(25-27-28)17-8-4-2-5-9-17/h2-15,26H,16H2,1H3,(H,24,29).
What are the key properties of N-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-(4-phenyltriazol-1-yl)acetamide?
N-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-(4-phenyltriazol-1-yl)acetamide has a molecular weight of 463.52 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-(4-phenyltriazol-1-yl)acetamide is sourced from PubChem (CID 72725405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).