2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2-phenylethyl)acetamide

C18H21BrN2O3S — CID 2233057

IUPAC2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2-phenylethyl)acetamide
SMILESCCN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H21BrN2O3S/c1-2-21(25(23,24)17-10-8-16(19)9-11-17)14-18(22)20-13-12-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,20,22)
InChIKeyIZEBNQYWTYVWLB-UHFFFAOYSA-N
MW425.35 g/mol
LogP2.82
Rot. Bonds8

About 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2-phenylethyl)acetamide

2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2-phenylethyl)acetamide (PubChem CID 2233057) has the molecular formula C18H21BrN2O3S and a molecular weight of 425.35 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2-phenylethyl)acetamide
PubChem CID2233057
Molecular FormulaC18H21BrN2O3S
Molecular Weight425.35 g/mol
Exact Mass424.05
IUPAC Name2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2-phenylethyl)acetamide
SMILESCCN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H21BrN2O3S/c1-2-21(25(23,24)17-10-8-16(19)9-11-17)14-18(22)20-13-12-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,20,22)
InChIKeyIZEBNQYWTYVWLB-UHFFFAOYSA-N
XLogP2.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2-phenylethyl)acetamide (CID 2233057) is 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2-phenylethyl)acetamide is CCN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2-phenylethyl)acetamide?
The InChIKey is IZEBNQYWTYVWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3S/c1-2-21(25(23,24)17-10-8-16(19)9-11-17)14-18(22)20-13-12-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,20,22).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2-phenylethyl)acetamide?
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2-phenylethyl)acetamide has a molecular weight of 425.35 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 2233057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).