2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(pyridin-2-ylmethyl)acetamide

C22H22BrN3O3S — CID 1120654

IUPAC2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NCc1ccccn1
InChIInChI=1S/C22H22BrN3O3S/c23-19-9-11-21(12-10-19)30(28,29)26(15-13-18-6-2-1-3-7-18)17-22(27)25-16-20-8-4-5-14-24-20/h1-12,14H,13,15-17H2,(H,25,27)
InChIKeyGTBSQIYWYBKAAJ-UHFFFAOYSA-N
MW488.41 g/mol
LogP3.39
Rot. Bonds9

About 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(pyridin-2-ylmethyl)acetamide

2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 1120654) has the molecular formula C22H22BrN3O3S and a molecular weight of 488.41 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID1120654
Molecular FormulaC22H22BrN3O3S
Molecular Weight488.41 g/mol
Exact Mass487.06
IUPAC Name2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NCc1ccccn1
InChIInChI=1S/C22H22BrN3O3S/c23-19-9-11-21(12-10-19)30(28,29)26(15-13-18-6-2-1-3-7-18)17-22(27)25-16-20-8-4-5-14-24-20/h1-12,14H,13,15-17H2,(H,25,27)
InChIKeyGTBSQIYWYBKAAJ-UHFFFAOYSA-N
XLogP3.39
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 43874395
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-butylacetamide
CID 126064929
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetic acid
CID 1092328
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2-methoxyethyl)acetamide
CID 3138915
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 2878917
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43874397
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94861126
N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 124544246
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1119955
2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 842504
N-[4-[2-phenylethyl(pyridin-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 121084567
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 43871730

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(pyridin-2-ylmethyl)acetamide (CID 1120654) is 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(pyridin-2-ylmethyl)acetamide is O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NCc1ccccn1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is GTBSQIYWYBKAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN3O3S/c23-19-9-11-21(12-10-19)30(28,29)26(15-13-18-6-2-1-3-7-18)17-22(27)25-16-20-8-4-5-14-24-20/h1-12,14H,13,15-17H2,(H,25,27).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(pyridin-2-ylmethyl)acetamide?
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 488.41 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 1120654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).