N-benzyl-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide

C16H17N3O5S — CID 26217755

IUPACN-benzyl-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide
SMILESCN(CC(=O)NCc1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H17N3O5S/c1-18(12-16(20)17-11-13-6-3-2-4-7-13)25(23,24)15-9-5-8-14(10-15)19(21)22/h2-10H,11-12H2,1H3,(H,17,20)
InChIKeyHGTZXDPNDMOQIK-UHFFFAOYSA-N
MW363.40 g/mol
LogP1.53
Rot. Bonds7

About N-benzyl-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide

N-benzyl-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide (PubChem CID 26217755) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is N-benzyl-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide
PubChem CID26217755
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC NameN-benzyl-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide
SMILESCN(CC(=O)NCc1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H17N3O5S/c1-18(12-16(20)17-11-13-6-3-2-4-7-13)25(23,24)15-9-5-8-14(10-15)19(21)22/h2-10H,11-12H2,1H3,(H,17,20)
InChIKeyHGTZXDPNDMOQIK-UHFFFAOYSA-N
XLogP1.53
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 51.53
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-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 966803
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 26217725
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 26217769
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511611
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 26217762
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 30209119
N-[1-(4-chlorophenyl)ethyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide
CID 112808147
N-(2-chloro-4-methylphenyl)-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide
CID 112788630
N-benzyl-3-nitro-N-propan-2-ylbenzenesulfonamide
CID 2951716
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[(4-methylphenyl)methyl]acetamide
CID 2896431
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(2-phenylethyl)acetamide
CID 5209703
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide
CID 119573617

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide?
The IUPAC name of N-benzyl-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide (CID 26217755) is N-benzyl-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-benzyl-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide is CN(CC(=O)NCc1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-benzyl-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide?
The InChIKey is HGTZXDPNDMOQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-18(12-16(20)17-11-13-6-3-2-4-7-13)25(23,24)15-9-5-8-14(10-15)19(21)22/h2-10H,11-12H2,1H3,(H,17,20).
What are the key properties of N-benzyl-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide?
N-benzyl-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide has a molecular weight of 363.40 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 26217755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).