N-[(3-fluorophenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

C18H21FN2O4S2 — CID 24980999

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCN(Cc1cccc(F)c1)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C18H21FN2O4S2/c1-20(13-14-3-2-4-15(19)11-14)17(22)12-16-5-6-18(26-16)27(23,24)21-7-9-25-10-8-21/h2-6,11H,7-10,12-13H2,1H3
InChIKeyUBDJKRNVJKERES-UHFFFAOYSA-N
MW412.51 g/mol
LogP2.11
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

N-[(3-fluorophenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 24980999) has the molecular formula C18H21FN2O4S2 and a molecular weight of 412.51 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
PubChem CID24980999
Molecular FormulaC18H21FN2O4S2
Molecular Weight412.51 g/mol
Exact Mass412.09
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCN(Cc1cccc(F)c1)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C18H21FN2O4S2/c1-20(13-14-3-2-4-15(19)11-14)17(22)12-16-5-6-18(26-16)27(23,24)21-7-9-25-10-8-21/h2-6,11H,7-10,12-13H2,1H3
InChIKeyUBDJKRNVJKERES-UHFFFAOYSA-N
XLogP2.11
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (CID 24980999) is N-[(3-fluorophenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is CN(Cc1cccc(F)c1)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is UBDJKRNVJKERES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S2/c1-20(13-14-3-2-4-15(19)11-14)17(22)12-16-5-6-18(26-16)27(23,24)21-7-9-25-10-8-21/h2-6,11H,7-10,12-13H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
N-[(3-fluorophenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 412.51 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 24980999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).