2-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide

C23H24BrN3O4S2 — CID 3265222

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C23H24BrN3O4S2/c24-17-7-9-18(10-8-17)33(29,30)26-20-5-2-1-4-19(20)23(28)25-16-21(22-6-3-15-32-22)27-11-13-31-14-12-27/h1-10,15,21,26H,11-14,16H2,(H,25,28)
InChIKeyAALBSNQDJDYHSI-UHFFFAOYSA-N
MW550.50 g/mol
LogP4.11
Rot. Bonds8

About 2-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide

2-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide (PubChem CID 3265222) has the molecular formula C23H24BrN3O4S2 and a molecular weight of 550.50 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
PubChem CID3265222
Molecular FormulaC23H24BrN3O4S2
Molecular Weight550.50 g/mol
Exact Mass549.04
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C23H24BrN3O4S2/c24-17-7-9-18(10-8-17)33(29,30)26-20-5-2-1-4-19(20)23(28)25-16-21(22-6-3-15-32-22)27-11-13-31-14-12-27/h1-10,15,21,26H,11-14,16H2,(H,25,28)
InChIKeyAALBSNQDJDYHSI-UHFFFAOYSA-N
XLogP4.11
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.50
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide (CID 3265222) is 2-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide is O=C(NCC(c1cccs1)N1CCOCC1)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The InChIKey is AALBSNQDJDYHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN3O4S2/c24-17-7-9-18(10-8-17)33(29,30)26-20-5-2-1-4-19(20)23(28)25-16-21(22-6-3-15-32-22)27-11-13-31-14-12-27/h1-10,15,21,26H,11-14,16H2,(H,25,28).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
2-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide has a molecular weight of 550.50 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 3265222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).