N-[[5-[(4-methoxyphenyl)methyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide

C16H20N2O4S2 — CID 55353278

IUPACN-[[5-[(4-methoxyphenyl)methyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2ccc(CNC(C)=O)s2)cc1
InChIInChI=1S/C16H20N2O4S2/c1-12(19)17-10-15-8-9-16(23-15)24(20,21)18(2)11-13-4-6-14(22-3)7-5-13/h4-9H,10-11H2,1-3H3,(H,17,19)
InChIKeyXXMLTWVREXEFDH-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.21
Rot. Bonds7

About N-[[5-[(4-methoxyphenyl)methyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide

N-[[5-[(4-methoxyphenyl)methyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide (PubChem CID 55353278) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[[5-[(4-methoxyphenyl)methyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[(4-methoxyphenyl)methyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide
PubChem CID55353278
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC NameN-[[5-[(4-methoxyphenyl)methyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2ccc(CNC(C)=O)s2)cc1
InChIInChI=1S/C16H20N2O4S2/c1-12(19)17-10-15-8-9-16(23-15)24(20,21)18(2)11-13-4-6-14(22-3)7-5-13/h4-9H,10-11H2,1-3H3,(H,17,19)
InChIKeyXXMLTWVREXEFDH-UHFFFAOYSA-N
XLogP2.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 61418235
N-[[5-[2-(4-methoxyphenyl)ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 60516900
N-[[5-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 39793693
N-[[5-[bis(2-methoxyethyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55364957
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine
CID 111181897
N-[[5-(dipropylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 30963365
N-[4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 6462480
(4-methylphenyl) 5-(acetamidomethyl)thiophene-2-sulfonate
CID 39792029
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
N-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-3-methoxybenzamide
CID 71882520
1-[(6-methoxynaphthalen-2-yl)methyl]-1-methyl-3-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]urea
CID 46594023
N-[[5-[3-[benzyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55435788

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-methoxyphenyl)methyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[(4-methoxyphenyl)methyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide (CID 55353278) is N-[[5-[(4-methoxyphenyl)methyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[(4-methoxyphenyl)methyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[(4-methoxyphenyl)methyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide is COc1ccc(CN(C)S(=O)(=O)c2ccc(CNC(C)=O)s2)cc1.
What is the InChIKey of N-[[5-[(4-methoxyphenyl)methyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is XXMLTWVREXEFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-12(19)17-10-15-8-9-16(23-15)24(20,21)18(2)11-13-4-6-14(22-3)7-5-13/h4-9H,10-11H2,1-3H3,(H,17,19).
What are the key properties of N-[[5-[(4-methoxyphenyl)methyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[(4-methoxyphenyl)methyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-methoxyphenyl)methyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 55353278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).