N-(4-iodo-2-methylphenyl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide

C16H17IN2O3S2 — CID 26055182

IUPACN-(4-iodo-2-methylphenyl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESC=CCN(CC(=O)Nc1ccc(I)cc1C)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H17IN2O3S2/c1-3-8-19(24(21,22)16-5-4-9-23-16)11-15(20)18-14-7-6-13(17)10-12(14)2/h3-7,9-10H,1,8,11H2,2H3,(H,18,20)
InChIKeyDJGHUVLCMKPBSB-UHFFFAOYSA-N
MW476.36 g/mol
LogP3.48
Rot. Bonds7

About N-(4-iodo-2-methylphenyl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide

N-(4-iodo-2-methylphenyl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 26055182) has the molecular formula C16H17IN2O3S2 and a molecular weight of 476.36 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID26055182
Molecular FormulaC16H17IN2O3S2
Molecular Weight476.36 g/mol
Exact Mass475.97
IUPAC NameN-(4-iodo-2-methylphenyl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESC=CCN(CC(=O)Nc1ccc(I)cc1C)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H17IN2O3S2/c1-3-8-19(24(21,22)16-5-4-9-23-16)11-15(20)18-14-7-6-13(17)10-12(14)2/h3-7,9-10H,1,8,11H2,2H3,(H,18,20)
InChIKeyDJGHUVLCMKPBSB-UHFFFAOYSA-N
XLogP3.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 26055171
N-(1,3-benzodioxol-5-yl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 26055162
N-(4-bromo-2-methylphenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
CID 113148206
N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4117119
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 31323268
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 46564173
methyl 3-[[2-(4-iodo-2-methylanilino)-2-oxoethyl]-methylamino]propanoate
CID 62010900
N-ethyl-N-naphthalen-1-yl-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 31472011
methyl 4-(4-iodo-2-methylanilino)-4-oxobutanoate
CID 683994
N-(4-iodo-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1210644
N-(4-iodo-2-methylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 1302977
N-(4-iodo-2-methylphenyl)-3-oxobutanamide
CID 61250967

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 26055182) is N-(4-iodo-2-methylphenyl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide is C=CCN(CC(=O)Nc1ccc(I)cc1C)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is DJGHUVLCMKPBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O3S2/c1-3-8-19(24(21,22)16-5-4-9-23-16)11-15(20)18-14-7-6-13(17)10-12(14)2/h3-7,9-10H,1,8,11H2,2H3,(H,18,20).
What are the key properties of N-(4-iodo-2-methylphenyl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-(4-iodo-2-methylphenyl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 476.36 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 26055182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).