5-(cyclopropylsulfamoyl)-2-methyl-N-[(4-nitrophenyl)methyl]benzamide

C18H19N3O5S — CID 55945412

IUPAC5-(cyclopropylsulfamoyl)-2-methyl-N-[(4-nitrophenyl)methyl]benzamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O5S/c1-12-2-9-16(27(25,26)20-14-5-6-14)10-17(12)18(22)19-11-13-3-7-15(8-4-13)21(23)24/h2-4,7-10,14,20H,5-6,11H2,1H3,(H,19,22)
InChIKeyCCMHXRCQYAAILB-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.27
Rot. Bonds7

About 5-(cyclopropylsulfamoyl)-2-methyl-N-[(4-nitrophenyl)methyl]benzamide

5-(cyclopropylsulfamoyl)-2-methyl-N-[(4-nitrophenyl)methyl]benzamide (PubChem CID 55945412) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is 5-(cyclopropylsulfamoyl)-2-methyl-N-[(4-nitrophenyl)methyl]benzamide.

Molecular Properties

Compound Name5-(cyclopropylsulfamoyl)-2-methyl-N-[(4-nitrophenyl)methyl]benzamide
PubChem CID55945412
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name5-(cyclopropylsulfamoyl)-2-methyl-N-[(4-nitrophenyl)methyl]benzamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O5S/c1-12-2-9-16(27(25,26)20-14-5-6-14)10-17(12)18(22)19-11-13-3-7-15(8-4-13)21(23)24/h2-4,7-10,14,20H,5-6,11H2,1H3,(H,19,22)
InChIKeyCCMHXRCQYAAILB-UHFFFAOYSA-N
XLogP2.27
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
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-(cyclopropylsulfamoyl)-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-methylbenzamide
CID 46401488
2-bromo-5-(cyclopropylsulfamoyl)-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 24637964
2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(4-nitroanilino)ethyl]benzamide
CID 26446304
2-methyl-N-[[4-[[(4-nitrophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
CID 155521624
5-(cyclopropylsulfamoyl)-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide
CID 39502349
N-[3-[[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55953105
5-(cyclopropylsulfamoyl)-2-methyl-N-(2-thiophen-3-ylethyl)benzamide
CID 46413675
5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854
2-bromo-5-(cyclopropylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 24504527
5-(cyclopropylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934577
5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 18170187
5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide
CID 60566565

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylsulfamoyl)-2-methyl-N-[(4-nitrophenyl)methyl]benzamide?
The IUPAC name of 5-(cyclopropylsulfamoyl)-2-methyl-N-[(4-nitrophenyl)methyl]benzamide (CID 55945412) is 5-(cyclopropylsulfamoyl)-2-methyl-N-[(4-nitrophenyl)methyl]benzamide.
What is the SMILES notation for 5-(cyclopropylsulfamoyl)-2-methyl-N-[(4-nitrophenyl)methyl]benzamide?
The canonical SMILES for 5-(cyclopropylsulfamoyl)-2-methyl-N-[(4-nitrophenyl)methyl]benzamide is Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-(cyclopropylsulfamoyl)-2-methyl-N-[(4-nitrophenyl)methyl]benzamide?
The InChIKey is CCMHXRCQYAAILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-12-2-9-16(27(25,26)20-14-5-6-14)10-17(12)18(22)19-11-13-3-7-15(8-4-13)21(23)24/h2-4,7-10,14,20H,5-6,11H2,1H3,(H,19,22).
What are the key properties of 5-(cyclopropylsulfamoyl)-2-methyl-N-[(4-nitrophenyl)methyl]benzamide?
5-(cyclopropylsulfamoyl)-2-methyl-N-[(4-nitrophenyl)methyl]benzamide has a molecular weight of 389.43 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylsulfamoyl)-2-methyl-N-[(4-nitrophenyl)methyl]benzamide is sourced from PubChem (CID 55945412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).