3-(dimethylsulfamoyl)-N,4,5-trimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide

C20H25N3O5S — CID 55408224

IUPAC3-(dimethylsulfamoyl)-N,4,5-trimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide
SMILESCc1cc(C(=O)N(C)C(C)c2cccc([N+](=O)[O-])c2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C20H25N3O5S/c1-13-10-17(12-19(14(13)2)29(27,28)21(4)5)20(24)22(6)15(3)16-8-7-9-18(11-16)23(25)26/h7-12,15H,1-6H3
InChIKeyHUUGUXAUVMFXOY-UHFFFAOYSA-N
MW419.50 g/mol
LogP3.30
Rot. Bonds6

About 3-(dimethylsulfamoyl)-N,4,5-trimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide

3-(dimethylsulfamoyl)-N,4,5-trimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide (PubChem CID 55408224) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N,4,5-trimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N,4,5-trimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide
PubChem CID55408224
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name3-(dimethylsulfamoyl)-N,4,5-trimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide
SMILESCc1cc(C(=O)N(C)C(C)c2cccc([N+](=O)[O-])c2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C20H25N3O5S/c1-13-10-17(12-19(14(13)2)29(27,28)21(4)5)20(24)22(6)15(3)16-8-7-9-18(11-16)23(25)26/h7-12,15H,1-6H3
InChIKeyHUUGUXAUVMFXOY-UHFFFAOYSA-N
XLogP3.30
TPSA100.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

5-(diethylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 55408377
4-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55408209
3-(tert-butylsulfamoyl)-4-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 46566213
N,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]thiophene-2-carboxamide
CID 51222342
2-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 18086811
4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 46565388
3-(dimethylsulfamoyl)-4-methoxy-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 55876850
5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 18278443
N-methyl-4-(4-methylpyrazol-1-yl)-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 55773278
2-methoxy-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 103029241
1-methyl-3-(2-methyl-5-nitrophenyl)-1-[1-(3-nitrophenyl)ethyl]urea
CID 55696959
N,2,4,5-tetramethyl-N-[1-(3-nitrophenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 24674773

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N,4,5-trimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N,4,5-trimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide (CID 55408224) is 3-(dimethylsulfamoyl)-N,4,5-trimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N,4,5-trimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N,4,5-trimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide is Cc1cc(C(=O)N(C)C(C)c2cccc([N+](=O)[O-])c2)cc(S(=O)(=O)N(C)C)c1C.
What is the InChIKey of 3-(dimethylsulfamoyl)-N,4,5-trimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide?
The InChIKey is HUUGUXAUVMFXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-13-10-17(12-19(14(13)2)29(27,28)21(4)5)20(24)22(6)15(3)16-8-7-9-18(11-16)23(25)26/h7-12,15H,1-6H3.
What are the key properties of 3-(dimethylsulfamoyl)-N,4,5-trimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide?
3-(dimethylsulfamoyl)-N,4,5-trimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide has a molecular weight of 419.50 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N,4,5-trimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide is sourced from PubChem (CID 55408224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).