2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]amino]-N-(2-methylpropyl)benzamide

C25H26ClN3O4S — CID 126119507

IUPAC2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H26ClN3O4S/c1-18(2)16-27-25(31)20-12-6-8-14-22(20)28-24(30)17-29(23-15-9-7-13-21(23)26)34(32,33)19-10-4-3-5-11-19/h3-15,18H,16-17H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyIKRQHFBHSFKUCO-UHFFFAOYSA-N
MW500.02 g/mol
LogP4.56
Rot. Bonds9

About 2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]amino]-N-(2-methylpropyl)benzamide

2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 126119507) has the molecular formula C25H26ClN3O4S and a molecular weight of 500.02 g/mol. Its IUPAC name is 2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]amino]-N-(2-methylpropyl)benzamide
PubChem CID126119507
Molecular FormulaC25H26ClN3O4S
Molecular Weight500.02 g/mol
Exact Mass499.13
IUPAC Name2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H26ClN3O4S/c1-18(2)16-27-25(31)20-12-6-8-14-22(20)28-24(30)17-29(23-15-9-7-13-21(23)26)34(32,33)19-10-4-3-5-11-19/h3-15,18H,16-17H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyIKRQHFBHSFKUCO-UHFFFAOYSA-N
XLogP4.56
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.02
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126145187
2-[[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126126509
2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126139167
2-[[2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126181164
N-[(2R)-butan-2-yl]-2-[[2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126119056
2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 126128084
2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]amino]-N-benzylbenzamide
CID 126033575
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-chloro-2-methylphenyl)acetamide
CID 2279103
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-ethylphenyl)acetamide
CID 1098076
2-[[2-(N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126145348

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]amino]-N-(2-methylpropyl)benzamide (CID 126119507) is 2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]amino]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccccc1NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is IKRQHFBHSFKUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O4S/c1-18(2)16-27-25(31)20-12-6-8-14-22(20)28-24(30)17-29(23-15-9-7-13-21(23)26)34(32,33)19-10-4-3-5-11-19/h3-15,18H,16-17H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]amino]-N-(2-methylpropyl)benzamide?
2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 500.02 g/mol, XLogP of 4.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 126119507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).