2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(3-nitrophenyl)acetamide

C19H24N4O5S — CID 9100299

IUPAC2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(3-nitrophenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NCC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1C
InChIInChI=1S/C19H24N4O5S/c1-4-22(5-2)29(27,28)18-12-15(10-9-14(18)3)20-13-19(24)21-16-7-6-8-17(11-16)23(25)26/h6-12,20H,4-5,13H2,1-3H3,(H,21,24)
InChIKeyCWQDTDNDIBATIR-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.98
Rot. Bonds9

About 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(3-nitrophenyl)acetamide

2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(3-nitrophenyl)acetamide (PubChem CID 9100299) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(3-nitrophenyl)acetamide
PubChem CID9100299
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC Name2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(3-nitrophenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NCC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1C
InChIInChI=1S/C19H24N4O5S/c1-4-22(5-2)29(27,28)18-12-15(10-9-14(18)3)20-13-19(24)21-16-7-6-8-17(11-16)23(25)26/h6-12,20H,4-5,13H2,1-3H3,(H,21,24)
InChIKeyCWQDTDNDIBATIR-UHFFFAOYSA-N
XLogP2.98
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(3-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-acetylanilino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 9084580
N-(3-fluoro-4-methylphenyl)-2-(3-nitroanilino)acetamide
CID 8933282
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(3-nitroanilino)acetamide
CID 46537107
2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4795337
N-[(3,4-dimethylphenyl)carbamoyl]-2-(3-nitroanilino)acetamide
CID 9274168
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(dimethylamino)-5-nitrobenzamide
CID 26521170
2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide
CID 8771644
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide
CID 92645499
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-sulfamoylphenyl)acetamide
CID 56511573
2-(4-chlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 7689008
2-[ethylsulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide
CID 99818120
2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(3-fluorophenyl)acetamide
CID 9100777

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(3-nitrophenyl)acetamide (CID 9100299) is 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(3-nitrophenyl)acetamide is CCN(CC)S(=O)(=O)c1cc(NCC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1C.
What is the InChIKey of 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(3-nitrophenyl)acetamide?
The InChIKey is CWQDTDNDIBATIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-4-22(5-2)29(27,28)18-12-15(10-9-14(18)3)20-13-19(24)21-16-7-6-8-17(11-16)23(25)26/h6-12,20H,4-5,13H2,1-3H3,(H,21,24).
What are the key properties of 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(3-nitrophenyl)acetamide?
2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(3-nitrophenyl)acetamide has a molecular weight of 420.49 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 9100299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).