N-[[5-[2-[4-(2-methylpropoxy)phenyl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide

C19H26N2O4S2 — CID 86896965

IUPACN-[[5-[2-[4-(2-methylpropoxy)phenyl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)NCCc2ccc(OCC(C)C)cc2)s1
InChIInChI=1S/C19H26N2O4S2/c1-14(2)13-25-17-6-4-16(5-7-17)10-11-21-27(23,24)19-9-8-18(26-19)12-20-15(3)22/h4-9,14,21H,10-13H2,1-3H3,(H,20,22)
InChIKeyMVZMHNGYMRBNDP-UHFFFAOYSA-N
MW410.56 g/mol
LogP2.94
Rot. Bonds10

About N-[[5-[2-[4-(2-methylpropoxy)phenyl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide

N-[[5-[2-[4-(2-methylpropoxy)phenyl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide (PubChem CID 86896965) has the molecular formula C19H26N2O4S2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[[5-[2-[4-(2-methylpropoxy)phenyl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-[4-(2-methylpropoxy)phenyl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
PubChem CID86896965
Molecular FormulaC19H26N2O4S2
Molecular Weight410.56 g/mol
Exact Mass410.13
IUPAC NameN-[[5-[2-[4-(2-methylpropoxy)phenyl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)NCCc2ccc(OCC(C)C)cc2)s1
InChIInChI=1S/C19H26N2O4S2/c1-14(2)13-25-17-6-4-16(5-7-17)10-11-21-27(23,24)19-9-8-18(26-19)12-20-15(3)22/h4-9,14,21H,10-13H2,1-3H3,(H,20,22)
InChIKeyMVZMHNGYMRBNDP-UHFFFAOYSA-N
XLogP2.94
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[2-(4-methoxyphenyl)ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 60516900
N-[[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 30180963
5-ethyl-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 113098193
N-[[5-[(2-amino-2-methylpropyl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride
CID 119988458
2-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120831726
N-[[5-[3-[benzyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55435788
N-[[5-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 86879604
N-[[5-[(4-methoxyphenyl)methyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55353278
N-[[5-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122293527
(4-methylphenyl) 5-(acetamidomethyl)thiophene-2-sulfonate
CID 39792029
N-[[5-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122308770
N-[[5-[(4-butan-2-ylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553889

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[4-(2-methylpropoxy)phenyl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-[4-(2-methylpropoxy)phenyl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide (CID 86896965) is N-[[5-[2-[4-(2-methylpropoxy)phenyl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-[4-(2-methylpropoxy)phenyl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-[4-(2-methylpropoxy)phenyl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)NCCc2ccc(OCC(C)C)cc2)s1.
What is the InChIKey of N-[[5-[2-[4-(2-methylpropoxy)phenyl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is MVZMHNGYMRBNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S2/c1-14(2)13-25-17-6-4-16(5-7-17)10-11-21-27(23,24)19-9-8-18(26-19)12-20-15(3)22/h4-9,14,21H,10-13H2,1-3H3,(H,20,22).
What are the key properties of N-[[5-[2-[4-(2-methylpropoxy)phenyl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[2-[4-(2-methylpropoxy)phenyl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 410.56 g/mol, XLogP of 2.94, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[4-(2-methylpropoxy)phenyl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 86896965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).