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'}

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Related Compounds

N-methyl-4-[[methyl-(2-nitrophenyl)sulfonylamino]methyl]benzamide
CID 26541999
4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide
CID 95933789
1-N-cyclopropyl-4-N-methyl-4-N-[(2-nitrophenyl)methyl]benzene-1,4-dicarboxamide
CID 178070531
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-3-nitrobenzamide
CID 38393694
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2,3-trimethylbenzamide
CID 38398694
N-cyclopropyl-4-[(N-methyl-2,4-dinitroanilino)methyl]benzamide
CID 38006514
N-cyclopropyl-4-[[cyclopropyl-[2-(2-nitrophenyl)acetyl]amino]methyl]benzamide
CID 33342098
4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278728
N-[2-(cyclopropylamino)ethyl]-2-methyl-3-nitrobenzenesulfonamide
CID 62664979
2-methyl-2-[methyl-(2-methyl-3-nitrophenyl)sulfonylamino]propanoic acid
CID 62817099
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 33342779
N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-nitrobenzenesulfonamide
CID 35302707

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).