N-[[5-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide

C15H17FN2O3S2 — CID 33040119

IUPACN-[[5-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)NCc2ccc(F)c(C)c2)s1
InChIInChI=1S/C15H17FN2O3S2/c1-10-7-12(3-5-14(10)16)8-18-23(20,21)15-6-4-13(22-15)9-17-11(2)19/h3-7,18H,8-9H2,1-2H3,(H,17,19)
InChIKeyIPSYQYGSJJFZES-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.31
Rot. Bonds6

About N-[[5-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide

N-[[5-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide (PubChem CID 33040119) has the molecular formula C15H17FN2O3S2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[[5-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide
PubChem CID33040119
Molecular FormulaC15H17FN2O3S2
Molecular Weight356.44 g/mol
Exact Mass356.07
IUPAC NameN-[[5-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)NCc2ccc(F)c(C)c2)s1
InChIInChI=1S/C15H17FN2O3S2/c1-10-7-12(3-5-14(10)16)8-18-23(20,21)15-6-4-13(22-15)9-17-11(2)19/h3-7,18H,8-9H2,1-2H3,(H,17,19)
InChIKeyIPSYQYGSJJFZES-UHFFFAOYSA-N
XLogP2.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide (CID 33040119) is N-[[5-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)NCc2ccc(F)c(C)c2)s1.
What is the InChIKey of N-[[5-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is IPSYQYGSJJFZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3S2/c1-10-7-12(3-5-14(10)16)8-18-23(20,21)15-6-4-13(22-15)9-17-11(2)19/h3-7,18H,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-[[5-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 356.44 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 33040119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).