2-methoxy-5-[[(3-nitrobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide

C18H20N4O7S — CID 27663032

IUPAC2-methoxy-5-[[(3-nitrobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C18H20N4O7S/c1-11(2)21-30(27,28)16-10-13(7-8-15(16)29-3)18(24)20-19-17(23)12-5-4-6-14(9-12)22(25)26/h4-11,21H,1-3H3,(H,19,23)(H,20,24)
InChIKeyGGMLVHSIVGNGLY-UHFFFAOYSA-N
MW436.45 g/mol
LogP1.36
Rot. Bonds7

About 2-methoxy-5-[[(3-nitrobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide

2-methoxy-5-[[(3-nitrobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 27663032) has the molecular formula C18H20N4O7S and a molecular weight of 436.45 g/mol. Its IUPAC name is 2-methoxy-5-[[(3-nitrobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-[[(3-nitrobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID27663032
Molecular FormulaC18H20N4O7S
Molecular Weight436.45 g/mol
Exact Mass436.11
IUPAC Name2-methoxy-5-[[(3-nitrobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C18H20N4O7S/c1-11(2)21-30(27,28)16-10-13(7-8-15(16)29-3)18(24)20-19-17(23)12-5-4-6-14(9-12)22(25)26/h4-11,21H,1-3H3,(H,19,23)(H,20,24)
InChIKeyGGMLVHSIVGNGLY-UHFFFAOYSA-N
XLogP1.36
TPSA156.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 51.36
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'}

Analyze 2-methoxy-5-[[(3-nitrobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide 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

4-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55408209
5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 35158676
3-bromo-4-methoxy-N'-(3-nitrobenzoyl)benzohydrazide
CID 4654337
tert-butyl N-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]carbamate
CID 22108264
4-methoxy-3-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 40742222
N-methoxy-4-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 55704286
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
3-(dimethylsulfamoyl)-4-methoxy-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 55876850
4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 40742114
4-methoxy-N-(4-methylsulfonylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 16594690
N'-(2-methoxy-5-nitrophenyl)sulfonyl-4-methylbenzohydrazide
CID 8823128
4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide
CID 39736994

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[(3-nitrobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-methoxy-5-[[(3-nitrobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide (CID 27663032) is 2-methoxy-5-[[(3-nitrobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-[[(3-nitrobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-5-[[(3-nitrobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide is COc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of 2-methoxy-5-[[(3-nitrobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is GGMLVHSIVGNGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O7S/c1-11(2)21-30(27,28)16-10-13(7-8-15(16)29-3)18(24)20-19-17(23)12-5-4-6-14(9-12)22(25)26/h4-11,21H,1-3H3,(H,19,23)(H,20,24).
What are the key properties of 2-methoxy-5-[[(3-nitrobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide?
2-methoxy-5-[[(3-nitrobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 436.45 g/mol, XLogP of 1.36, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[(3-nitrobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 27663032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).