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

C16H19ClN2O4S2 — CID 39793693

IUPACN-[[5-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N(C)CCOc2ccc(Cl)cc2)s1
InChIInChI=1S/C16H19ClN2O4S2/c1-12(20)18-11-15-7-8-16(24-15)25(21,22)19(2)9-10-23-14-5-3-13(17)4-6-14/h3-8H,9-11H2,1-2H3,(H,18,20)
InChIKeyXFKLOLKFQBKEAT-UHFFFAOYSA-N
MW402.93 g/mol
LogP2.74
Rot. Bonds8

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

N-[[5-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide (PubChem CID 39793693) has the molecular formula C16H19ClN2O4S2 and a molecular weight of 402.93 g/mol. Its IUPAC name is N-[[5-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide
PubChem CID39793693
Molecular FormulaC16H19ClN2O4S2
Molecular Weight402.93 g/mol
Exact Mass402.05
IUPAC NameN-[[5-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N(C)CCOc2ccc(Cl)cc2)s1
InChIInChI=1S/C16H19ClN2O4S2/c1-12(20)18-11-15-7-8-16(24-15)25(21,22)19(2)9-10-23-14-5-3-13(17)4-6-14/h3-8H,9-11H2,1-2H3,(H,18,20)
InChIKeyXFKLOLKFQBKEAT-UHFFFAOYSA-N
XLogP2.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[(4-methoxyphenyl)methyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55353278
N-[[5-[bis(2-methoxyethyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55364957
N-[[5-(dipropylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 30963365
(4-methylphenyl) 5-(acetamidomethyl)thiophene-2-sulfonate
CID 39792029
4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 26057393
3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine;hydroiodide
CID 111274062
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 55791868
1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]urea
CID 24612288
N-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]-N-methylbutan-1-amine
CID 52580356
2-[4-(cyanomethyl)phenoxy]-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 55524068
N-[[5-[2-[4-(2-methylpropoxy)phenyl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 86896965
5-chloro-N-(2-methoxyethyl)-N-methylthiophene-2-sulfonamide
CID 74225766

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide (CID 39793693) is N-[[5-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)N(C)CCOc2ccc(Cl)cc2)s1.
What is the InChIKey of N-[[5-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is XFKLOLKFQBKEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4S2/c1-12(20)18-11-15-7-8-16(24-15)25(21,22)19(2)9-10-23-14-5-3-13(17)4-6-14/h3-8H,9-11H2,1-2H3,(H,18,20).
What are the key properties of N-[[5-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 402.93 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 39793693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).