N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide

C19H23IN2O4S — CID 28632113

IUPACN-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccc([C@H](C)NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23IN2O4S/c1-4-26-18-11-5-15(6-12-18)14(2)21-19(23)13-22(27(3,24)25)17-9-7-16(20)8-10-17/h5-12,14H,4,13H2,1-3H3,(H,21,23)/t14-/m0/s1
InChIKeyYSURZGVUWGPJOH-AWEZNQCLSA-N
MW502.37 g/mol
LogP3.33
Rot. Bonds8

About N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide

N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide (PubChem CID 28632113) has the molecular formula C19H23IN2O4S and a molecular weight of 502.37 g/mol. Its IUPAC name is N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide
PubChem CID28632113
Molecular FormulaC19H23IN2O4S
Molecular Weight502.37 g/mol
Exact Mass502.04
IUPAC NameN-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccc([C@H](C)NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23IN2O4S/c1-4-26-18-11-5-15(6-12-18)14(2)21-19(23)13-22(27(3,24)25)17-9-7-16(20)8-10-17/h5-12,14H,4,13H2,1-3H3,(H,21,23)/t14-/m0/s1
InChIKeyYSURZGVUWGPJOH-AWEZNQCLSA-N
XLogP3.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.37
LogP ≤ 53.33
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-(4-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28631647
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 93487961
2-(4-iodo-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94012982
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 43875485
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 92680814
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28577972
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide
CID 94019110
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 43897371
N-[1-(4-methylsulfonylphenyl)ethyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 43901779
2-(4-ethoxy-N-methylsulfonylanilino)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 43895634
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 99950083
N-[1-(4-ethoxyphenyl)ethyl]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 43875282

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide (CID 28632113) is N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide is CCOc1ccc([C@H](C)NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide?
The InChIKey is YSURZGVUWGPJOH-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23IN2O4S/c1-4-26-18-11-5-15(6-12-18)14(2)21-19(23)13-22(27(3,24)25)17-9-7-16(20)8-10-17/h5-12,14H,4,13H2,1-3H3,(H,21,23)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide?
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide has a molecular weight of 502.37 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 28632113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).