2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-iodophenyl)acetamide

C23H22ClIN2O4S — CID 126393774

IUPAC2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-iodophenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(I)cc2)cc1Cl
InChIInChI=1S/C23H22ClIN2O4S/c1-31-22-12-11-20(15-21(22)24)32(29,30)27(14-13-17-5-3-2-4-6-17)16-23(28)26-19-9-7-18(25)8-10-19/h2-12,15H,13-14,16H2,1H3,(H,26,28)
InChIKeyNIJIVYCFZTWPKT-UHFFFAOYSA-N
MW584.86 g/mol
LogP4.83
Rot. Bonds9

About 2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-iodophenyl)acetamide

2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-iodophenyl)acetamide (PubChem CID 126393774) has the molecular formula C23H22ClIN2O4S and a molecular weight of 584.86 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-iodophenyl)acetamide
PubChem CID126393774
Molecular FormulaC23H22ClIN2O4S
Molecular Weight584.86 g/mol
Exact Mass584.00
IUPAC Name2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-iodophenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(I)cc2)cc1Cl
InChIInChI=1S/C23H22ClIN2O4S/c1-31-22-12-11-20(15-21(22)24)32(29,30)27(14-13-17-5-3-2-4-6-17)16-23(28)26-19-9-7-18(25)8-10-19/h2-12,15H,13-14,16H2,1H3,(H,26,28)
InChIKeyNIJIVYCFZTWPKT-UHFFFAOYSA-N
XLogP4.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.86
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 126397140
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 126395903
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 3295282
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide
CID 3292626
N-(4-butylphenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126395918
N-(3-chlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 3642012
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 3955191
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 126394157
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 43872467
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906255
N-(3,4-difluorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 28547639
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
CID 136818306

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-iodophenyl)acetamide (CID 126393774) is 2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-iodophenyl)acetamide is COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(I)cc2)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-iodophenyl)acetamide?
The InChIKey is NIJIVYCFZTWPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClIN2O4S/c1-31-22-12-11-20(15-21(22)24)32(29,30)27(14-13-17-5-3-2-4-6-17)16-23(28)26-19-9-7-18(25)8-10-19/h2-12,15H,13-14,16H2,1H3,(H,26,28).
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-iodophenyl)acetamide?
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-iodophenyl)acetamide has a molecular weight of 584.86 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 126393774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).