2-(2-amino-4-iodophenyl)sulfanyl-N,N-diethylacetamide

C12H17IN2OS — CID 114233313

IUPAC2-(2-amino-4-iodophenyl)sulfanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1ccc(I)cc1N
InChIInChI=1S/C12H17IN2OS/c1-3-15(4-2)12(16)8-17-11-6-5-9(13)7-10(11)14/h5-7H,3-4,8,14H2,1-2H3
InChIKeyAZFPIMPBKDFMCM-UHFFFAOYSA-N
MW364.25 g/mol
LogP2.83
Rot. Bonds5

About 2-(2-amino-4-iodophenyl)sulfanyl-N,N-diethylacetamide

2-(2-amino-4-iodophenyl)sulfanyl-N,N-diethylacetamide (PubChem CID 114233313) has the molecular formula C12H17IN2OS and a molecular weight of 364.25 g/mol. Its IUPAC name is 2-(2-amino-4-iodophenyl)sulfanyl-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-iodophenyl)sulfanyl-N,N-diethylacetamide
PubChem CID114233313
Molecular FormulaC12H17IN2OS
Molecular Weight364.25 g/mol
Exact Mass364.01
IUPAC Name2-(2-amino-4-iodophenyl)sulfanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1ccc(I)cc1N
InChIInChI=1S/C12H17IN2OS/c1-3-15(4-2)12(16)8-17-11-6-5-9(13)7-10(11)14/h5-7H,3-4,8,14H2,1-2H3
InChIKeyAZFPIMPBKDFMCM-UHFFFAOYSA-N
XLogP2.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-bromophenyl)sulfanyl-N,N-diethylacetamide
CID 43306118
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N,N-diethylacetamide
CID 43247403
2-(2-amino-4,5-difluorophenyl)sulfanyl-N,N-diethylacetamide
CID 112751943
2-(2-amino-5-bromo-4-fluorophenyl)sulfanyl-N,N-diethylacetamide
CID 114233327
2-[2-(diethylamino)ethylsulfanyl]-5-iodoaniline
CID 66079996
N,N-diethyl-2-(2-fluorophenyl)sulfanylacetamide
CID 60623990
2-amino-3-[2-(diethylamino)-2-oxoethyl]sulfanylbenzamide
CID 114234242
5-amino-2-[2-(diethylamino)-2-oxoethyl]sulfanylpyridine-4-carboxylic acid
CID 114234240
2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N,N-diethylacetamide
CID 114235096
2-[(3-amino-4-hydroxyphenyl)methylsulfanyl]-N,N-diethylacetamide
CID 114233566
N,N-diethyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665943
N,N-diethyl-2-(4-methylsulfinyl-2-nitrophenyl)sulfanylacetamide
CID 21209852

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-iodophenyl)sulfanyl-N,N-diethylacetamide?
The IUPAC name of 2-(2-amino-4-iodophenyl)sulfanyl-N,N-diethylacetamide (CID 114233313) is 2-(2-amino-4-iodophenyl)sulfanyl-N,N-diethylacetamide.
What is the SMILES notation for 2-(2-amino-4-iodophenyl)sulfanyl-N,N-diethylacetamide?
The canonical SMILES for 2-(2-amino-4-iodophenyl)sulfanyl-N,N-diethylacetamide is CCN(CC)C(=O)CSc1ccc(I)cc1N.
What is the InChIKey of 2-(2-amino-4-iodophenyl)sulfanyl-N,N-diethylacetamide?
The InChIKey is AZFPIMPBKDFMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2OS/c1-3-15(4-2)12(16)8-17-11-6-5-9(13)7-10(11)14/h5-7H,3-4,8,14H2,1-2H3.
What are the key properties of 2-(2-amino-4-iodophenyl)sulfanyl-N,N-diethylacetamide?
2-(2-amino-4-iodophenyl)sulfanyl-N,N-diethylacetamide has a molecular weight of 364.25 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-iodophenyl)sulfanyl-N,N-diethylacetamide is sourced from PubChem (CID 114233313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).