N-[4-(difluoromethoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

C17H18F2N2O4S2 — CID 7941191

IUPACN-[4-(difluoromethoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H18F2N2O4S2/c18-17(19)25-13-5-3-12(4-6-13)20-15(22)11-14-7-8-16(26-14)27(23,24)21-9-1-2-10-21/h3-8,17H,1-2,9-11H2,(H,20,22)
InChIKeyMJGCIHGUQGDUTH-UHFFFAOYSA-N
MW416.47 g/mol
LogP3.32
Rot. Bonds7

About N-[4-(difluoromethoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

N-[4-(difluoromethoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 7941191) has the molecular formula C17H18F2N2O4S2 and a molecular weight of 416.47 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
PubChem CID7941191
Molecular FormulaC17H18F2N2O4S2
Molecular Weight416.47 g/mol
Exact Mass416.07
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H18F2N2O4S2/c18-17(19)25-13-5-3-12(4-6-13)20-15(22)11-14-7-8-16(26-14)27(23,24)21-9-1-2-10-21/h3-8,17H,1-2,9-11H2,(H,20,22)
InChIKeyMJGCIHGUQGDUTH-UHFFFAOYSA-N
XLogP3.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-chlorophenoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 33274811
N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 2449300
N-cyclopropyl-4-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide
CID 46553984
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 36672065
N-(6-amino-3-pyridinyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119515991
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55836799
N-(3-hydroxyphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 78783462
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
CID 23770843
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 26087846
N-[3-(hydroxymethyl)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 112766702
2-(4-ethoxyphenoxy)-N'-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]propanehydrazide
CID 55343903
N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 4839985

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (CID 7941191) is N-[4-(difluoromethoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is MJGCIHGUQGDUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O4S2/c18-17(19)25-13-5-3-12(4-6-13)20-15(22)11-14-7-8-16(26-14)27(23,24)21-9-1-2-10-21/h3-8,17H,1-2,9-11H2,(H,20,22).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
N-[4-(difluoromethoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 416.47 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 7941191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).