N-(2,3-dimethylphenyl)-2-(N-methyl-2-nitro-4-sulfamoylanilino)acetamide

C17H20N4O5S — CID 18281198

IUPACN-(2,3-dimethylphenyl)-2-(N-methyl-2-nitro-4-sulfamoylanilino)acetamide
SMILESCc1cccc(NC(=O)CN(C)c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c1C
InChIInChI=1S/C17H20N4O5S/c1-11-5-4-6-14(12(11)2)19-17(22)10-20(3)15-8-7-13(27(18,25)26)9-16(15)21(23)24/h4-9H,10H2,1-3H3,(H,19,22)(H2,18,25,26)
InChIKeyGKVGGCACCSHZDL-UHFFFAOYSA-N
MW392.44 g/mol
LogP1.93
Rot. Bonds6

About N-(2,3-dimethylphenyl)-2-(N-methyl-2-nitro-4-sulfamoylanilino)acetamide

N-(2,3-dimethylphenyl)-2-(N-methyl-2-nitro-4-sulfamoylanilino)acetamide (PubChem CID 18281198) has the molecular formula C17H20N4O5S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(N-methyl-2-nitro-4-sulfamoylanilino)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(N-methyl-2-nitro-4-sulfamoylanilino)acetamide
PubChem CID18281198
Molecular FormulaC17H20N4O5S
Molecular Weight392.44 g/mol
Exact Mass392.12
IUPAC NameN-(2,3-dimethylphenyl)-2-(N-methyl-2-nitro-4-sulfamoylanilino)acetamide
SMILESCc1cccc(NC(=O)CN(C)c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c1C
InChIInChI=1S/C17H20N4O5S/c1-11-5-4-6-14(12(11)2)19-17(22)10-20(3)15-8-7-13(27(18,25)26)9-16(15)21(23)24/h4-9H,10H2,1-3H3,(H,19,22)(H2,18,25,26)
InChIKeyGKVGGCACCSHZDL-UHFFFAOYSA-N
XLogP1.93
TPSA135.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-[4-[3-(dimethylamino)propylsulfamoyl]-N-methyl-2-nitroanilino]-N-(2,6-dimethylphenyl)acetamide
CID 4841596
N-(2,6-dichlorophenyl)-2-[N-methyl-2-nitro-4-(trifluoromethylsulfonyl)anilino]acetamide
CID 26454011
methyl 3-(N-methyl-2-nitro-4-sulfamoylanilino)propanoate
CID 62004488
N-(2,5-dimethylphenyl)-2-(N-methyl-2,4-dinitroanilino)acetamide
CID 9110807
N-(2,3-dimethylphenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide
CID 2948916
2-(N-methyl-2-nitro-4-piperidin-1-ylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
CID 4620773
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 9288076
N-(2-nitrophenyl)-2-(N,2,5-trimethylanilino)acetamide
CID 47060051
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2709829
N-methyl-N-[(2-methylphenyl)methyl]-4-methylsulfonyl-2-nitroaniline
CID 9113750
N-(2,3-dimethylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 925267
N-(2,3-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide
CID 35329527

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(N-methyl-2-nitro-4-sulfamoylanilino)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(N-methyl-2-nitro-4-sulfamoylanilino)acetamide (CID 18281198) is N-(2,3-dimethylphenyl)-2-(N-methyl-2-nitro-4-sulfamoylanilino)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(N-methyl-2-nitro-4-sulfamoylanilino)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(N-methyl-2-nitro-4-sulfamoylanilino)acetamide is Cc1cccc(NC(=O)CN(C)c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(N-methyl-2-nitro-4-sulfamoylanilino)acetamide?
The InChIKey is GKVGGCACCSHZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5S/c1-11-5-4-6-14(12(11)2)19-17(22)10-20(3)15-8-7-13(27(18,25)26)9-16(15)21(23)24/h4-9H,10H2,1-3H3,(H,19,22)(H2,18,25,26).
What are the key properties of N-(2,3-dimethylphenyl)-2-(N-methyl-2-nitro-4-sulfamoylanilino)acetamide?
N-(2,3-dimethylphenyl)-2-(N-methyl-2-nitro-4-sulfamoylanilino)acetamide has a molecular weight of 392.44 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(N-methyl-2-nitro-4-sulfamoylanilino)acetamide is sourced from PubChem (CID 18281198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).