N-(4-iodo-2-methylphenyl)-2-[2-(4-methoxyphenyl)sulfonylanilino]acetamide

C22H21IN2O4S — CID 22305154

IUPACN-(4-iodo-2-methylphenyl)-2-[2-(4-methoxyphenyl)sulfonylanilino]acetamide
SMILESCOc1ccc(S(=O)(=O)c2ccccc2NCC(=O)Nc2ccc(I)cc2C)cc1
InChIInChI=1S/C22H21IN2O4S/c1-15-13-16(23)7-12-19(15)25-22(26)14-24-20-5-3-4-6-21(20)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,24H,14H2,1-2H3,(H,25,26)
InChIKeyBMKWALGHYVDWFS-UHFFFAOYSA-N
MW536.39 g/mol
LogP4.49
Rot. Bonds7

About N-(4-iodo-2-methylphenyl)-2-[2-(4-methoxyphenyl)sulfonylanilino]acetamide

N-(4-iodo-2-methylphenyl)-2-[2-(4-methoxyphenyl)sulfonylanilino]acetamide (PubChem CID 22305154) has the molecular formula C22H21IN2O4S and a molecular weight of 536.39 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-2-[2-(4-methoxyphenyl)sulfonylanilino]acetamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-2-[2-(4-methoxyphenyl)sulfonylanilino]acetamide
PubChem CID22305154
Molecular FormulaC22H21IN2O4S
Molecular Weight536.39 g/mol
Exact Mass536.03
IUPAC NameN-(4-iodo-2-methylphenyl)-2-[2-(4-methoxyphenyl)sulfonylanilino]acetamide
SMILESCOc1ccc(S(=O)(=O)c2ccccc2NCC(=O)Nc2ccc(I)cc2C)cc1
InChIInChI=1S/C22H21IN2O4S/c1-15-13-16(23)7-12-19(15)25-22(26)14-24-20-5-3-4-6-21(20)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,24H,14H2,1-2H3,(H,25,26)
InChIKeyBMKWALGHYVDWFS-UHFFFAOYSA-N
XLogP4.49
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.39
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(4-iodo-2-methylphenyl)-2-[2-(4-methoxyphenyl)sulfonylanilino]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-[2-(3,4-dimethoxyphenyl)sulfonylanilino]-N-(4-methoxyphenyl)acetamide
CID 22307621
2-[3-chloro-2-(4-chlorophenyl)sulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide
CID 22305203
N-(2-chlorophenyl)-2-(4-iodo-2-methylanilino)acetamide
CID 2604442
N-(2-chlorophenyl)-2-(4-methoxy-2-methylanilino)acetamide
CID 62871342
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 4997215
2-[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 40883287
2-anilino-N-(4-methoxy-2-methylphenyl)acetamide
CID 62871353
2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(4-methoxyphenyl)acetamide
CID 22304413
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(4-iodo-2-methylphenyl)acetamide
CID 1317158
2-(benzenesulfonyl)-N-(4-methoxy-2-methylphenyl)acetamide
CID 3543556
N-(4-iodo-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604433
N-(4-iodo-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 4596964

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-2-[2-(4-methoxyphenyl)sulfonylanilino]acetamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-2-[2-(4-methoxyphenyl)sulfonylanilino]acetamide (CID 22305154) is N-(4-iodo-2-methylphenyl)-2-[2-(4-methoxyphenyl)sulfonylanilino]acetamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-2-[2-(4-methoxyphenyl)sulfonylanilino]acetamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-2-[2-(4-methoxyphenyl)sulfonylanilino]acetamide is COc1ccc(S(=O)(=O)c2ccccc2NCC(=O)Nc2ccc(I)cc2C)cc1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-2-[2-(4-methoxyphenyl)sulfonylanilino]acetamide?
The InChIKey is BMKWALGHYVDWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21IN2O4S/c1-15-13-16(23)7-12-19(15)25-22(26)14-24-20-5-3-4-6-21(20)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,24H,14H2,1-2H3,(H,25,26).
What are the key properties of N-(4-iodo-2-methylphenyl)-2-[2-(4-methoxyphenyl)sulfonylanilino]acetamide?
N-(4-iodo-2-methylphenyl)-2-[2-(4-methoxyphenyl)sulfonylanilino]acetamide has a molecular weight of 536.39 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-2-[2-(4-methoxyphenyl)sulfonylanilino]acetamide is sourced from PubChem (CID 22305154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).