N-benzyl-N-methyl-3-[(4-nitrophenyl)sulfonylamino]propanamide

C17H19N3O5S — CID 17192886

IUPACN-benzyl-N-methyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
SMILESCN(Cc1ccccc1)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H19N3O5S/c1-19(13-14-5-3-2-4-6-14)17(21)11-12-18-26(24,25)16-9-7-15(8-10-16)20(22)23/h2-10,18H,11-13H2,1H3
InChIKeyCQFPZRAAMIOFHH-UHFFFAOYSA-N
MW377.42 g/mol
LogP1.92
Rot. Bonds8

About N-benzyl-N-methyl-3-[(4-nitrophenyl)sulfonylamino]propanamide

N-benzyl-N-methyl-3-[(4-nitrophenyl)sulfonylamino]propanamide (PubChem CID 17192886) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-[(4-nitrophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
PubChem CID17192886
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC NameN-benzyl-N-methyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
SMILESCN(Cc1ccccc1)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H19N3O5S/c1-19(13-14-5-3-2-4-6-14)17(21)11-12-18-26(24,25)16-9-7-15(8-10-16)20(22)23/h2-10,18H,11-13H2,1H3
InChIKeyCQFPZRAAMIOFHH-UHFFFAOYSA-N
XLogP1.92
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.92
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-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 17192390
3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 17192905
4-nitro-N-(2-phenylethyl)benzenesulfonamide
CID 682201
3-(benzenesulfonamido)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 31238693
N-[(4-cyanophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 39860929
N-[(4-chlorophenyl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 26594048
N-benzyl-2-[(4-cyanophenyl)sulfonylamino]-N-methylacetamide
CID 112760070
N-benzyl-3-[(2,5-dibromophenyl)sulfonylamino]-N-methylpropanamide
CID 55334609
1-benzyl-1,2-dimethyl-3-[2-[(3-nitrophenyl)sulfonylamino]ethyl]guanidine
CID 110950742
N-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192795
N-benzyl-N-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112992432
N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 43007201

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-[(4-nitrophenyl)sulfonylamino]propanamide?
The IUPAC name of N-benzyl-N-methyl-3-[(4-nitrophenyl)sulfonylamino]propanamide (CID 17192886) is N-benzyl-N-methyl-3-[(4-nitrophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-benzyl-N-methyl-3-[(4-nitrophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-benzyl-N-methyl-3-[(4-nitrophenyl)sulfonylamino]propanamide is CN(Cc1ccccc1)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-benzyl-N-methyl-3-[(4-nitrophenyl)sulfonylamino]propanamide?
The InChIKey is CQFPZRAAMIOFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-19(13-14-5-3-2-4-6-14)17(21)11-12-18-26(24,25)16-9-7-15(8-10-16)20(22)23/h2-10,18H,11-13H2,1H3.
What are the key properties of N-benzyl-N-methyl-3-[(4-nitrophenyl)sulfonylamino]propanamide?
N-benzyl-N-methyl-3-[(4-nitrophenyl)sulfonylamino]propanamide has a molecular weight of 377.42 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-[(4-nitrophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 17192886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).