N-benzyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide

C23H24N2O4S2 — CID 24980788

IUPACN-benzyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N2O4S2/c26-22(25(20-9-5-2-6-10-20)18-19-7-3-1-4-8-19)17-21-11-12-23(30-21)31(27,28)24-13-15-29-16-14-24/h1-12H,13-18H2
InChIKeyMJBAKSWWBDIIDW-UHFFFAOYSA-N
MW456.59 g/mol
LogP3.54
Rot. Bonds7

About N-benzyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide

N-benzyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide (PubChem CID 24980788) has the molecular formula C23H24N2O4S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-benzyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide
PubChem CID24980788
Molecular FormulaC23H24N2O4S2
Molecular Weight456.59 g/mol
Exact Mass456.12
IUPAC NameN-benzyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N2O4S2/c26-22(25(20-9-5-2-6-10-20)18-19-7-3-1-4-8-19)17-21-11-12-23(30-21)31(27,28)24-13-15-29-16-14-24/h1-12H,13-18H2
InChIKeyMJBAKSWWBDIIDW-UHFFFAOYSA-N
XLogP3.54
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide?
The IUPAC name of N-benzyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide (CID 24980788) is N-benzyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide.
What is the SMILES notation for N-benzyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide?
The canonical SMILES for N-benzyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide is O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide?
The InChIKey is MJBAKSWWBDIIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S2/c26-22(25(20-9-5-2-6-10-20)18-19-7-3-1-4-8-19)17-21-11-12-23(30-21)31(27,28)24-13-15-29-16-14-24/h1-12H,13-18H2.
What are the key properties of N-benzyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide?
N-benzyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide has a molecular weight of 456.59 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide is sourced from PubChem (CID 24980788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).