N-[4-[ethyl-(2-methoxy-5-nitrophenyl)sulfamoyl]phenyl]acetamide

C17H19N3O6S — CID 100500433

IUPACN-[4-[ethyl-(2-methoxy-5-nitrophenyl)sulfamoyl]phenyl]acetamide
SMILESCCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H19N3O6S/c1-4-19(16-11-14(20(22)23)7-10-17(16)26-3)27(24,25)15-8-5-13(6-9-15)18-12(2)21/h5-11H,4H2,1-3H3,(H,18,21)
InChIKeyOCOGGMHCJWUXFQ-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.78
Rot. Bonds7

About N-[4-[ethyl-(2-methoxy-5-nitrophenyl)sulfamoyl]phenyl]acetamide

N-[4-[ethyl-(2-methoxy-5-nitrophenyl)sulfamoyl]phenyl]acetamide (PubChem CID 100500433) has the molecular formula C17H19N3O6S and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[4-[ethyl-(2-methoxy-5-nitrophenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[ethyl-(2-methoxy-5-nitrophenyl)sulfamoyl]phenyl]acetamide
PubChem CID100500433
Molecular FormulaC17H19N3O6S
Molecular Weight393.42 g/mol
Exact Mass393.10
IUPAC NameN-[4-[ethyl-(2-methoxy-5-nitrophenyl)sulfamoyl]phenyl]acetamide
SMILESCCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H19N3O6S/c1-4-19(16-11-14(20(22)23)7-10-17(16)26-3)27(24,25)15-8-5-13(6-9-15)18-12(2)21/h5-11H,4H2,1-3H3,(H,18,21)
InChIKeyOCOGGMHCJWUXFQ-UHFFFAOYSA-N
XLogP2.78
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
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'}

Analyze N-[4-[ethyl-(2-methoxy-5-nitrophenyl)sulfamoyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide
CID 9203751
2-(2-methoxy-N-(4-methylphenyl)sulfonyl-5-nitroanilino)acetic acid
CID 28590072
methyl 2-(2-methoxy-N-(4-methylsulfanylphenyl)sulfonyl-5-nitroanilino)acetate
CID 100518837
2-(N-(4-acetamidophenyl)sulfonyl-2-chloro-5-nitroanilino)acetic acid
CID 50889737
N-(2,4-dimethoxyphenyl)-N-ethyl-4-nitrobenzenesulfonamide
CID 100526233
N-(2-methoxy-5-nitrophenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide
CID 100518825
ethyl 2-(2-methoxy-5-methyl-N-(4-nitrophenyl)sulfonylanilino)acetate
CID 100527321
N-ethyl-N-(2-methyl-5-nitrophenyl)-4-nitrobenzenesulfonamide
CID 100528608
2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(4-phenoxyphenyl)acetamide
CID 2224817
3-fluoro-4-methoxy-N-(2-methoxy-5-nitrophenyl)-N-prop-2-enylbenzenesulfonamide
CID 100545305
3-chloro-4-methoxy-N-(2-methoxy-5-nitrophenyl)-N-prop-2-enylbenzenesulfonamide
CID 100513696
N-[4-[(5-chloro-2-methoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
CID 50889666

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl-(2-methoxy-5-nitrophenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[ethyl-(2-methoxy-5-nitrophenyl)sulfamoyl]phenyl]acetamide (CID 100500433) is N-[4-[ethyl-(2-methoxy-5-nitrophenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[ethyl-(2-methoxy-5-nitrophenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[ethyl-(2-methoxy-5-nitrophenyl)sulfamoyl]phenyl]acetamide is CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[ethyl-(2-methoxy-5-nitrophenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is OCOGGMHCJWUXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O6S/c1-4-19(16-11-14(20(22)23)7-10-17(16)26-3)27(24,25)15-8-5-13(6-9-15)18-12(2)21/h5-11H,4H2,1-3H3,(H,18,21).
What are the key properties of N-[4-[ethyl-(2-methoxy-5-nitrophenyl)sulfamoyl]phenyl]acetamide?
N-[4-[ethyl-(2-methoxy-5-nitrophenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 393.42 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl-(2-methoxy-5-nitrophenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 100500433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).