N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide

C25H28N2O4S — CID 1142001

IUPACN-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCCOc1ccccc1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H28N2O4S/c1-3-31-24-12-8-7-11-23(24)26-25(28)19-27(18-17-21-9-5-4-6-10-21)32(29,30)22-15-13-20(2)14-16-22/h4-16H,3,17-19H2,1-2H3,(H,26,28)
InChIKeyGVXCRWWGHSLZJB-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.27
Rot. Bonds10

About N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide

N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide (PubChem CID 1142001) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
PubChem CID1142001
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCCOc1ccccc1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H28N2O4S/c1-3-31-24-12-8-7-11-23(24)26-25(28)19-27(18-17-21-9-5-4-6-10-21)32(29,30)22-15-13-20(2)14-16-22/h4-16H,3,17-19H2,1-2H3,(H,26,28)
InChIKeyGVXCRWWGHSLZJB-UHFFFAOYSA-N
XLogP4.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 90303
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N-[(5S)-6-hydroxy-5-[isobutyl(p-tolylsulfonyl)amino]hexyl]-2-[N-[(4-methoxyphenyl)methyl]anilino]acetamide
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CID 651524
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-methylbenzenesulfonamide
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CID 16008205
N-(2-azepan-1-yl-2-oxoethyl)-N-(4-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 1001017
2-[(4-Ethoxy-phenyl)-methanesulfonyl-amino]-N-m-tolyl-acetamide
CID 1106302
N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide
CID 2535092
3-{[(2-ethoxyanilino)carbonyl]amino}-N,N,4-trimethylbenzenesulfonamide
CID 2812297
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 3647605

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide (CID 1142001) is N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide is CCOc1ccccc1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The InChIKey is GVXCRWWGHSLZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-3-31-24-12-8-7-11-23(24)26-25(28)19-27(18-17-21-9-5-4-6-10-21)32(29,30)22-15-13-20(2)14-16-22/h4-16H,3,17-19H2,1-2H3,(H,26,28).
What are the key properties of N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide has a molecular weight of 452.58 g/mol, XLogP of 4.27, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 1142001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).