N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

C20H26ClN3O6S3 — CID 25163202

IUPACN-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)ccc1Cl
InChIInChI=1S/C20H26ClN3O6S3/c1-3-23(4-2)32(26,27)18-13-15(5-7-17(18)21)22-19(25)14-16-6-8-20(31-16)33(28,29)24-9-11-30-12-10-24/h5-8,13H,3-4,9-12,14H2,1-2H3,(H,22,25)
InChIKeyWEUSJJGHXMVCOA-UHFFFAOYSA-N
MW536.10 g/mol
LogP2.63
Rot. Bonds9

About N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 25163202) has the molecular formula C20H26ClN3O6S3 and a molecular weight of 536.10 g/mol. Its IUPAC name is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
PubChem CID25163202
Molecular FormulaC20H26ClN3O6S3
Molecular Weight536.10 g/mol
Exact Mass535.07
IUPAC NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)ccc1Cl
InChIInChI=1S/C20H26ClN3O6S3/c1-3-23(4-2)32(26,27)18-13-15(5-7-17(18)21)22-19(25)14-16-6-8-20(31-16)33(28,29)24-9-11-30-12-10-24/h5-8,13H,3-4,9-12,14H2,1-2H3,(H,22,25)
InChIKeyWEUSJJGHXMVCOA-UHFFFAOYSA-N
XLogP2.63
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.10
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (CID 25163202) is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is WEUSJJGHXMVCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O6S3/c1-3-23(4-2)32(26,27)18-13-15(5-7-17(18)21)22-19(25)14-16-6-8-20(31-16)33(28,29)24-9-11-30-12-10-24/h5-8,13H,3-4,9-12,14H2,1-2H3,(H,22,25).
What are the key properties of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 536.10 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 25163202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).