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

C21H28N4O7S2 — CID 30271390

IUPAC2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C21H28N4O7S2/c1-24(2)34(30,31)17-11-9-16(10-12-17)25(33(4,28)29)15-20(26)23-19-8-6-5-7-18(19)21(27)22-13-14-32-3/h5-12H,13-15H2,1-4H3,(H,22,27)(H,23,26)
InChIKeyYZCPGJZJAYEUJP-UHFFFAOYSA-N
MW512.61 g/mol
LogP0.72
Rot. Bonds11

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

2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(2-methoxyethyl)benzamide (PubChem CID 30271390) has the molecular formula C21H28N4O7S2 and a molecular weight of 512.61 g/mol. Its IUPAC name is 2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
PubChem CID30271390
Molecular FormulaC21H28N4O7S2
Molecular Weight512.61 g/mol
Exact Mass512.14
IUPAC Name2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C21H28N4O7S2/c1-24(2)34(30,31)17-11-9-16(10-12-17)25(33(4,28)29)15-20(26)23-19-8-6-5-7-18(19)21(27)22-13-14-32-3/h5-12H,13-15H2,1-4H3,(H,22,27)(H,23,26)
InChIKeyYZCPGJZJAYEUJP-UHFFFAOYSA-N
XLogP0.72
TPSA142.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.61
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methoxyethyl)acetamide
CID 30257475
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methoxyphenyl)acetamide
CID 30261797
2-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 126265123
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methylphenyl)acetamide
CID 30257873
2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 43900791
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-ethylphenyl)acetamide
CID 30258733
2-[[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 126319908
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 30276090
2-[[2-(2,5-dimethoxy-N-methylsulfonylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 2957888
2-[[2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 2239418

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(2-methoxyethyl)benzamide (CID 30271390) is 2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of 2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(2-methoxyethyl)benzamide?
The InChIKey is YZCPGJZJAYEUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O7S2/c1-24(2)34(30,31)17-11-9-16(10-12-17)25(33(4,28)29)15-20(26)23-19-8-6-5-7-18(19)21(27)22-13-14-32-3/h5-12H,13-15H2,1-4H3,(H,22,27)(H,23,26).
What are the key properties of 2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(2-methoxyethyl)benzamide?
2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(2-methoxyethyl)benzamide has a molecular weight of 512.61 g/mol, XLogP of 0.72, 11 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-(2-methoxyethyl)benzamide is sourced from PubChem (CID 30271390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).