2-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-N-[(2R)-butan-2-yl]benzamide

C20H24BrN3O4S — CID 1317350

IUPAC2-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-N-[(2R)-butan-2-yl]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccccc1Br)S(C)(=O)=O
InChIInChI=1S/C20H24BrN3O4S/c1-4-14(2)22-20(26)15-9-5-7-11-17(15)23-19(25)13-24(29(3,27)28)18-12-8-6-10-16(18)21/h5-12,14H,4,13H2,1-3H3,(H,22,26)(H,23,25)/t14-/m1/s1
InChIKeyCQXCOCKEEHYQNJ-CQSZACIVSA-N
MW482.40 g/mol
LogP3.38
Rot. Bonds8

About 2-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-N-[(2R)-butan-2-yl]benzamide

2-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-N-[(2R)-butan-2-yl]benzamide (PubChem CID 1317350) has the molecular formula C20H24BrN3O4S and a molecular weight of 482.40 g/mol. Its IUPAC name is 2-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-N-[(2R)-butan-2-yl]benzamide.

Molecular Properties

Compound Name2-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-N-[(2R)-butan-2-yl]benzamide
PubChem CID1317350
Molecular FormulaC20H24BrN3O4S
Molecular Weight482.40 g/mol
Exact Mass481.07
IUPAC Name2-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-N-[(2R)-butan-2-yl]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccccc1Br)S(C)(=O)=O
InChIInChI=1S/C20H24BrN3O4S/c1-4-14(2)22-20(26)15-9-5-7-11-17(15)23-19(25)13-24(29(3,27)28)18-12-8-6-10-16(18)21/h5-12,14H,4,13H2,1-3H3,(H,22,26)(H,23,25)/t14-/m1/s1
InChIKeyCQXCOCKEEHYQNJ-CQSZACIVSA-N
XLogP3.38
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 126118433
2-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 126118406
N-butan-2-yl-2-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]benzamide
CID 43899854
2-(2-bromo-N-methylsulfonylanilino)-N-butan-2-ylacetamide
CID 47409304
N-[(2S)-butan-2-yl]-2-[[2-(2,4-dimethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 126122626
2-(2-bromo-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
CID 2209148
2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]amino]-N-[(2S)-butan-2-yl]benzamide
CID 1317743
2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 1317744
N-[(2S)-butan-2-yl]-2-[[2-(3,4-dimethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 126154518
N-[(2R)-butan-2-yl]-2-[[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 2193587
2-[[2-[N-(benzenesulfonyl)-2-ethylanilino]acetyl]amino]-N-[(2S)-butan-2-yl]benzamide
CID 1296650
N-[(2S)-butan-2-yl]-2-[[2-[(2-chlorophenyl)methyl-methylsulfonylamino]acetyl]amino]benzamide
CID 100753386

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-N-[(2R)-butan-2-yl]benzamide?
The IUPAC name of 2-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-N-[(2R)-butan-2-yl]benzamide (CID 1317350) is 2-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-N-[(2R)-butan-2-yl]benzamide.
What is the SMILES notation for 2-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-N-[(2R)-butan-2-yl]benzamide?
The canonical SMILES for 2-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-N-[(2R)-butan-2-yl]benzamide is CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccccc1Br)S(C)(=O)=O.
What is the InChIKey of 2-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-N-[(2R)-butan-2-yl]benzamide?
The InChIKey is CQXCOCKEEHYQNJ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24BrN3O4S/c1-4-14(2)22-20(26)15-9-5-7-11-17(15)23-19(25)13-24(29(3,27)28)18-12-8-6-10-16(18)21/h5-12,14H,4,13H2,1-3H3,(H,22,26)(H,23,25)/t14-/m1/s1.
What are the key properties of 2-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-N-[(2R)-butan-2-yl]benzamide?
2-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-N-[(2R)-butan-2-yl]benzamide has a molecular weight of 482.40 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-N-[(2R)-butan-2-yl]benzamide is sourced from PubChem (CID 1317350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).