2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,3-dimethyl-6-nitrophenyl)acetamide

C22H31N5O5S — CID 24510897

IUPAC2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,3-dimethyl-6-nitrophenyl)acetamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCC(=O)Nc1c([N+](=O)[O-])ccc(C)c1C
InChIInChI=1S/C22H31N5O5S/c1-6-23-18-11-10-17(33(31,32)26(7-2)8-3)13-19(18)24-14-21(28)25-22-16(5)15(4)9-12-20(22)27(29)30/h9-13,23-24H,6-8,14H2,1-5H3,(H,25,28)
InChIKeyBMIAUKHEBREDJM-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.72
Rot. Bonds11

About 2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,3-dimethyl-6-nitrophenyl)acetamide

2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,3-dimethyl-6-nitrophenyl)acetamide (PubChem CID 24510897) has the molecular formula C22H31N5O5S and a molecular weight of 477.59 g/mol. Its IUPAC name is 2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,3-dimethyl-6-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,3-dimethyl-6-nitrophenyl)acetamide
PubChem CID24510897
Molecular FormulaC22H31N5O5S
Molecular Weight477.59 g/mol
Exact Mass477.20
IUPAC Name2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,3-dimethyl-6-nitrophenyl)acetamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCC(=O)Nc1c([N+](=O)[O-])ccc(C)c1C
InChIInChI=1S/C22H31N5O5S/c1-6-23-18-11-10-17(33(31,32)26(7-2)8-3)13-19(18)24-14-21(28)25-22-16(5)15(4)9-12-20(22)27(29)30/h9-13,23-24H,6-8,14H2,1-5H3,(H,25,28)
InChIKeyBMIAUKHEBREDJM-UHFFFAOYSA-N
XLogP3.72
TPSA133.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-3-(ethylamino)-4-nitrobenzenesulfonamide
CID 82854182
4-[[2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]acetyl]amino]benzamide
CID 24510878
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9106574
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(2-nitroanilino)propanamide
CID 16962406
N-(2,3-dimethyl-6-nitrophenyl)-2-hydroxyacetamide
CID 16769548
N-(5-chloro-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-methylanilino]acetamide
CID 17396256
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 9106509
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide
CID 119680561
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide
CID 78848190
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(3,5-dimethylanilino)acetamide
CID 25486173
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide
CID 78848200
2-[5-(diethylsulfamoyl)-2-methylanilino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9100235

Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,3-dimethyl-6-nitrophenyl)acetamide?
The IUPAC name of 2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,3-dimethyl-6-nitrophenyl)acetamide (CID 24510897) is 2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,3-dimethyl-6-nitrophenyl)acetamide.
What is the SMILES notation for 2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,3-dimethyl-6-nitrophenyl)acetamide?
The canonical SMILES for 2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,3-dimethyl-6-nitrophenyl)acetamide is CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCC(=O)Nc1c([N+](=O)[O-])ccc(C)c1C.
What is the InChIKey of 2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,3-dimethyl-6-nitrophenyl)acetamide?
The InChIKey is BMIAUKHEBREDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O5S/c1-6-23-18-11-10-17(33(31,32)26(7-2)8-3)13-19(18)24-14-21(28)25-22-16(5)15(4)9-12-20(22)27(29)30/h9-13,23-24H,6-8,14H2,1-5H3,(H,25,28).
What are the key properties of 2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,3-dimethyl-6-nitrophenyl)acetamide?
2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,3-dimethyl-6-nitrophenyl)acetamide has a molecular weight of 477.59 g/mol, XLogP of 3.72, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,3-dimethyl-6-nitrophenyl)acetamide is sourced from PubChem (CID 24510897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).