N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

C20H25N3O5S2 — CID 25162171

IUPACN-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCc1cccc(NC(=O)CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1C
InChIInChI=1S/C20H25N3O5S2/c1-14-4-3-5-17(15(14)2)22-19(25)13-21-18(24)12-16-6-7-20(29-16)30(26,27)23-8-10-28-11-9-23/h3-7H,8-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyXWUPQYMTZFSGEO-UHFFFAOYSA-N
MW451.57 g/mol
LogP1.68
Rot. Bonds7

About N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 25162171) has the molecular formula C20H25N3O5S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
PubChem CID25162171
Molecular FormulaC20H25N3O5S2
Molecular Weight451.57 g/mol
Exact Mass451.12
IUPAC NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCc1cccc(NC(=O)CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1C
InChIInChI=1S/C20H25N3O5S2/c1-14-4-3-5-17(15(14)2)22-19(25)13-21-18(24)12-16-6-7-20(29-16)30(26,27)23-8-10-28-11-9-23/h3-7H,8-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyXWUPQYMTZFSGEO-UHFFFAOYSA-N
XLogP1.68
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (CID 25162171) is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is Cc1cccc(NC(=O)CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1C.
What is the InChIKey of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is XWUPQYMTZFSGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S2/c1-14-4-3-5-17(15(14)2)22-19(25)13-21-18(24)12-16-6-7-20(29-16)30(26,27)23-8-10-28-11-9-23/h3-7H,8-13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 451.57 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 25162171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).