N-(4-butylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide

C21H28N2O4S — CID 45373137

IUPACN-(4-butylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCCCCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-4-6-7-17-8-10-18(11-9-17)22-21(24)16-23(3)28(25,26)20-14-12-19(13-15-20)27-5-2/h8-15H,4-7,16H2,1-3H3,(H,22,24)
InChIKeyBQMYCCDLIRMPLW-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.69
Rot. Bonds10

About N-(4-butylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide

N-(4-butylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide (PubChem CID 45373137) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
PubChem CID45373137
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-(4-butylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCCCCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-4-6-7-17-8-10-18(11-9-17)22-21(24)16-23(3)28(25,26)20-14-12-19(13-15-20)27-5-2/h8-15H,4-7,16H2,1-3H3,(H,22,24)
InChIKeyBQMYCCDLIRMPLW-UHFFFAOYSA-N
XLogP3.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 2695434
methyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45373124
ethyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45373125
2-[4-(dimethylsulfamoyl)phenyl]-N-(4-ethoxyphenyl)acetamide
CID 110674552
1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874274
dimethyl 5-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzene-1,3-dicarboxylate
CID 45373145
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-ethylphenyl)acetamide
CID 45373180
4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide
CID 45373085
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-ethoxyphenyl)acetamide
CID 3921360
ethyl 2-[4-[[2-[(4-methoxyphenyl)sulfonyl-methylamino]acetyl]amino]phenyl]acetate
CID 100794256
2-[benzenesulfonyl(methyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 4241588
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 19798403

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(4-butylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide (CID 45373137) is N-(4-butylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide is CCCCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OCC)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is BQMYCCDLIRMPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-4-6-7-17-8-10-18(11-9-17)22-21(24)16-23(3)28(25,26)20-14-12-19(13-15-20)27-5-2/h8-15H,4-7,16H2,1-3H3,(H,22,24).
What are the key properties of N-(4-butylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide?
N-(4-butylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 404.53 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 45373137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).