N-methyl-N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide

C16H17N3O5S — CID 538439

IUPACN-methyl-N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide
SMILESCC(=O)N(C)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H17N3O5S/c1-11-4-7-14(8-5-11)25(23,24)17-15-9-6-13(18(3)12(2)20)10-16(15)19(21)22/h4-10,17H,1-3H3
InChIKeyCOIZBYPZNBZLPW-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.69
Rot. Bonds5

About N-methyl-N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide

N-methyl-N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide (PubChem CID 538439) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is N-methyl-N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide
PubChem CID538439
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC NameN-methyl-N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide
SMILESCC(=O)N(C)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H17N3O5S/c1-11-4-7-14(8-5-11)25(23,24)17-15-9-6-13(18(3)12(2)20)10-16(15)19(21)22/h4-10,17H,1-3H3
InChIKeyCOIZBYPZNBZLPW-UHFFFAOYSA-N
XLogP2.69
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.69
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-(4-(((4-Methylphenyl)sulfonyl)amino)-3-nitrophenyl)acetamide
CID 3091011
N-(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide
CID 142296520
4-methyl-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide
CID 142296583
N~2~-[(4-methylphenyl)sulfonyl]-N~1~-(3-nitrophenyl)glycinamide
CID 893116
2-[Benzenesulfonyl-(3-nitro-phenyl)-amino]-N-(4-methyl-benzyl)-acetamide
CID 1016301
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide
CID 1337443
N~1~,N~1~-dimethyl-N~2~-[(4-methylphenyl)sulfonyl]-N~2~-(3-nitrophenyl)glycinamide
CID 2199717
N-[3-[(4-methylphenyl)sulfonylmethyl]-2,4-dinitrophenyl]acetamide
CID 4051043
2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]-N-(3-phenylpropyl)acetamide
CID 24818276
4-(dipropylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 118706960
4-(dipropylsulfamoyl)-N-(2-nitrophenyl)benzamide
CID 118706961
4-methyl-N-{2-[(2-nitrophenyl)amino]ethyl}benzenesulfonamide
CID 2949785

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide?
The IUPAC name of N-methyl-N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide (CID 538439) is N-methyl-N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide.
What is the SMILES notation for N-methyl-N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide?
The canonical SMILES for N-methyl-N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide is CC(=O)N(C)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-methyl-N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide?
The InChIKey is COIZBYPZNBZLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-11-4-7-14(8-5-11)25(23,24)17-15-9-6-13(18(3)12(2)20)10-16(15)19(21)22/h4-10,17H,1-3H3.
What are the key properties of N-methyl-N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide?
N-methyl-N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide has a molecular weight of 363.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide is sourced from PubChem (CID 538439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).