2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide

C24H25N3O6S — CID 30209474

IUPAC2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide
SMILESCOc1ccccc1CCCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H25N3O6S/c1-33-23-12-6-5-8-19(23)9-7-17-25-24(28)18-26(20-13-15-21(16-14-20)27(29)30)34(31,32)22-10-3-2-4-11-22/h2-6,8,10-16H,7,9,17-18H2,1H3,(H,25,28)
InChIKeyQIWZGPODTUULNP-UHFFFAOYSA-N
MW483.55 g/mol
LogP3.55
Rot. Bonds11

About 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide

2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide (PubChem CID 30209474) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide
PubChem CID30209474
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC Name2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide
SMILESCOc1ccccc1CCCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H25N3O6S/c1-33-23-12-6-5-8-19(23)9-7-17-25-24(28)18-26(20-13-15-21(16-14-20)27(29)30)34(31,32)22-10-3-2-4-11-22/h2-6,8,10-16H,7,9,17-18H2,1H3,(H,25,28)
InChIKeyQIWZGPODTUULNP-UHFFFAOYSA-N
XLogP3.55
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-methoxyphenyl)propyl]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

2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30209081
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30212432
2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 43896911
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30205214
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30243544
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 1107731
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 3109573
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
CID 30175236
N-[3-(2-chlorophenyl)propyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30226854
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 30205747
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3,4-dimethylphenyl)acetamide
CID 2889961
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 1339603

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide (CID 30209474) is 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide is COc1ccccc1CCCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide?
The InChIKey is QIWZGPODTUULNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-33-23-12-6-5-8-19(23)9-7-17-25-24(28)18-26(20-13-15-21(16-14-20)27(29)30)34(31,32)22-10-3-2-4-11-22/h2-6,8,10-16H,7,9,17-18H2,1H3,(H,25,28).
What are the key properties of 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide?
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide has a molecular weight of 483.55 g/mol, XLogP of 3.55, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 30209474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).