N-[[5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide

C15H17FN2O3S2 — CID 55384100

IUPACN-[[5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(CNC(C)=O)s1
InChIInChI=1S/C15H17FN2O3S2/c1-3-18(13-6-4-12(16)5-7-13)23(20,21)15-9-8-14(22-15)10-17-11(2)19/h4-9H,3,10H2,1-2H3,(H,17,19)
InChIKeyWARXYNKVSZFDAV-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.74
Rot. Bonds6

About N-[[5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide

N-[[5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide (PubChem CID 55384100) has the molecular formula C15H17FN2O3S2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[[5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
PubChem CID55384100
Molecular FormulaC15H17FN2O3S2
Molecular Weight356.44 g/mol
Exact Mass356.07
IUPAC NameN-[[5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(CNC(C)=O)s1
InChIInChI=1S/C15H17FN2O3S2/c1-3-18(13-6-4-12(16)5-7-13)23(20,21)15-9-8-14(22-15)10-17-11(2)19/h4-9H,3,10H2,1-2H3,(H,17,19)
InChIKeyWARXYNKVSZFDAV-UHFFFAOYSA-N
XLogP2.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(dipropylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 30963365
N-[[5-[bis(2-methoxyethyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55364957
1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-[1-(4-fluorophenyl)ethyl]urea
CID 24612971
N-(4-aminophenyl)-N,5-diethylthiophene-2-sulfonamide
CID 63234172
N-[[5-[(4-methoxyphenyl)methyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55353278
N-[[5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 51097870
5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 45298932
2-[5-[ethyl(pyridin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 104656493
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-fluorobenzamide
CID 18140594
N-[[5-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 39793693
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111232739
(4-methylphenyl) 5-(acetamidomethyl)thiophene-2-sulfonate
CID 39792029

Frequently Asked Questions

What is the IUPAC name of N-[[5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide (CID 55384100) is N-[[5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide is CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(CNC(C)=O)s1.
What is the InChIKey of N-[[5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is WARXYNKVSZFDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3S2/c1-3-18(13-6-4-12(16)5-7-13)23(20,21)15-9-8-14(22-15)10-17-11(2)19/h4-9H,3,10H2,1-2H3,(H,17,19).
What are the key properties of N-[[5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 356.44 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 55384100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).