N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

C19H21F3N2O5S2 — CID 41322705

IUPACN-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C19H21F3N2O5S2/c20-19(21,22)13-29-12-14-1-3-15(4-2-14)18(25)23-11-16-5-6-17(30-16)31(26,27)24-7-9-28-10-8-24/h1-6H,7-13H2,(H,23,25)
InChIKeyIVALOYFQNNWRLB-UHFFFAOYSA-N
MW478.51 g/mol
LogP2.78
Rot. Bonds8

About N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 41322705) has the molecular formula C19H21F3N2O5S2 and a molecular weight of 478.51 g/mol. Its IUPAC name is N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID41322705
Molecular FormulaC19H21F3N2O5S2
Molecular Weight478.51 g/mol
Exact Mass478.08
IUPAC NameN-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C19H21F3N2O5S2/c20-19(21,22)13-29-12-14-1-3-15(4-2-14)18(25)23-11-16-5-6-17(30-16)31(26,27)24-7-9-28-10-8-24/h1-6H,7-13H2,(H,23,25)
InChIKeyIVALOYFQNNWRLB-UHFFFAOYSA-N
XLogP2.78
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 41322705) is N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is IVALOYFQNNWRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O5S2/c20-19(21,22)13-29-12-14-1-3-15(4-2-14)18(25)23-11-16-5-6-17(30-16)31(26,27)24-7-9-28-10-8-24/h1-6H,7-13H2,(H,23,25).
What are the key properties of N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 478.51 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 41322705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).