N-cyclopropyl-4-[[methyl-(2-methyl-3-nitrophenyl)sulfonylamino]methyl]benzamide

C19H21N3O5S — CID 35383768

IUPACN-cyclopropyl-4-[[methyl-(2-methyl-3-nitrophenyl)sulfonylamino]methyl]benzamide
SMILESCc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C19H21N3O5S/c1-13-17(22(24)25)4-3-5-18(13)28(26,27)21(2)12-14-6-8-15(9-7-14)19(23)20-16-10-11-16/h3-9,16H,10-12H2,1-2H3,(H,20,23)
InChIKeyVJMDVLNAIHQCAU-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.62
Rot. Bonds7

About N-cyclopropyl-4-[[methyl-(2-methyl-3-nitrophenyl)sulfonylamino]methyl]benzamide

N-cyclopropyl-4-[[methyl-(2-methyl-3-nitrophenyl)sulfonylamino]methyl]benzamide (PubChem CID 35383768) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-cyclopropyl-4-[[methyl-(2-methyl-3-nitrophenyl)sulfonylamino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[methyl-(2-methyl-3-nitrophenyl)sulfonylamino]methyl]benzamide
PubChem CID35383768
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC NameN-cyclopropyl-4-[[methyl-(2-methyl-3-nitrophenyl)sulfonylamino]methyl]benzamide
SMILESCc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C19H21N3O5S/c1-13-17(22(24)25)4-3-5-18(13)28(26,27)21(2)12-14-6-8-15(9-7-14)19(23)20-16-10-11-16/h3-9,16H,10-12H2,1-2H3,(H,20,23)
InChIKeyVJMDVLNAIHQCAU-UHFFFAOYSA-N
XLogP2.62
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
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'}

Analyze N-cyclopropyl-4-[[methyl-(2-methyl-3-nitrophenyl)sulfonylamino]methyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[methyl-(2-methyl-3-nitrophenyl)sulfonylamino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[methyl-(2-methyl-3-nitrophenyl)sulfonylamino]methyl]benzamide (CID 35383768) is N-cyclopropyl-4-[[methyl-(2-methyl-3-nitrophenyl)sulfonylamino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[methyl-(2-methyl-3-nitrophenyl)sulfonylamino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[methyl-(2-methyl-3-nitrophenyl)sulfonylamino]methyl]benzamide is Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[methyl-(2-methyl-3-nitrophenyl)sulfonylamino]methyl]benzamide?
The InChIKey is VJMDVLNAIHQCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-13-17(22(24)25)4-3-5-18(13)28(26,27)21(2)12-14-6-8-15(9-7-14)19(23)20-16-10-11-16/h3-9,16H,10-12H2,1-2H3,(H,20,23).
What are the key properties of N-cyclopropyl-4-[[methyl-(2-methyl-3-nitrophenyl)sulfonylamino]methyl]benzamide?
N-cyclopropyl-4-[[methyl-(2-methyl-3-nitrophenyl)sulfonylamino]methyl]benzamide has a molecular weight of 403.46 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[methyl-(2-methyl-3-nitrophenyl)sulfonylamino]methyl]benzamide is sourced from PubChem (CID 35383768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).