2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide

C23H30N4O7S2 — CID 43900791

IUPAC2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(N(CC(=O)Nc2ccccc2C(=O)NCC2CCCO2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H30N4O7S2/c1-26(2)36(32,33)19-12-10-17(11-13-19)27(35(3,30)31)16-22(28)25-21-9-5-4-8-20(21)23(29)24-15-18-7-6-14-34-18/h4-5,8-13,18H,6-7,14-16H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyBKIJRKQLCHZSFU-UHFFFAOYSA-N
MW538.65 g/mol
LogP1.25
Rot. Bonds10

About 2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide

2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 43900791) has the molecular formula C23H30N4O7S2 and a molecular weight of 538.65 g/mol. Its IUPAC name is 2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID43900791
Molecular FormulaC23H30N4O7S2
Molecular Weight538.65 g/mol
Exact Mass538.16
IUPAC Name2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(N(CC(=O)Nc2ccccc2C(=O)NCC2CCCO2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H30N4O7S2/c1-26(2)36(32,33)19-12-10-17(11-13-19)27(35(3,30)31)16-22(28)25-21-9-5-4-8-20(21)23(29)24-15-18-7-6-14-34-18/h4-5,8-13,18H,6-7,14-16H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyBKIJRKQLCHZSFU-UHFFFAOYSA-N
XLogP1.25
TPSA142.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.65
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-propylbenzamide
CID 30271239
N-butyl-2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzamide
CID 30271289
2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 30271390
2-[4-(3,5-dimethyl-N-methylsulfonylanilino)butanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133160858
2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 40986070
2-[[2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 100559763
2-[3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133235368
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methylphenyl)acetamide
CID 30257873
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 30276090
2-[4-(3-methoxy-N-methylsulfonylanilino)butanoylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 125058359
2-[[2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 43900777
2-(4-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 976928

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide (CID 43900791) is 2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide is CN(C)S(=O)(=O)c1ccc(N(CC(=O)Nc2ccccc2C(=O)NCC2CCCO2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is BKIJRKQLCHZSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O7S2/c1-26(2)36(32,33)19-12-10-17(11-13-19)27(35(3,30)31)16-22(28)25-21-9-5-4-8-20(21)23(29)24-15-18-7-6-14-34-18/h4-5,8-13,18H,6-7,14-16H2,1-3H3,(H,24,29)(H,25,28).
What are the key properties of 2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 538.65 g/mol, XLogP of 1.25, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 43900791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).