N-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]acetamide

C11H12INO3S — CID 134891520

IUPACN-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]acetamide
SMILESCC(=O)NC/C(I)=C\S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H12INO3S/c1-9(14)13-7-10(12)8-17(15,16)11-5-3-2-4-6-11/h2-6,8H,7H2,1H3,(H,13,14)/b10-8+
InChIKeyNXPBBSAGVWFPSC-CSKARUKUSA-N
MW365.19 g/mol
LogP1.87
Rot. Bonds4

About N-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]acetamide

N-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]acetamide (PubChem CID 134891520) has the molecular formula C11H12INO3S and a molecular weight of 365.19 g/mol. Its IUPAC name is N-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]acetamide
PubChem CID134891520
Molecular FormulaC11H12INO3S
Molecular Weight365.19 g/mol
Exact Mass364.96
IUPAC NameN-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]acetamide
SMILESCC(=O)NC/C(I)=C\S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H12INO3S/c1-9(14)13-7-10(12)8-17(15,16)11-5-3-2-4-6-11/h2-6,8H,7H2,1H3,(H,13,14)/b10-8+
InChIKeyNXPBBSAGVWFPSC-CSKARUKUSA-N
XLogP1.87
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.19
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-(Phenylthio)ethyl)acetamide
CID 13250272
N-[2-(tert-butylsulfanyl)ethyl]-2-(phenylsulfanyl)acetamide
CID 4339369
2-(benzenesulfonyl)-N-propan-2-ylacetamide
CID 3324748
N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 16196693
N-cyclohexyl-2-(phenylsulfonyl)acetamide
CID 1264349
N-cyclohexyl-3-(phenylsulfonyl)propanamide
CID 6458857
N-cyclopentyl-3-(phenylsulfonyl)propanamide
CID 6459253
4-(Phenylsulfonyl)-2-azetidinone
CID 4589027
2-(benzenesulfonyl)-N-propylacetamide
CID 4683894
N-(1-phenylsulfanylpropan-2-yl)acetamide
CID 49865423
N-[(2S)-1-phenylsulfanylpropan-2-yl]acetamide
CID 49865425
3-(benzenesulfonyl)-N-[2-(benzenesulfonyl)ethyl]propanamide
CID 2765506

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]acetamide?
The IUPAC name of N-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]acetamide (CID 134891520) is N-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]acetamide.
What is the SMILES notation for N-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]acetamide?
The canonical SMILES for N-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]acetamide is CC(=O)NC/C(I)=C\S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]acetamide?
The InChIKey is NXPBBSAGVWFPSC-CSKARUKUSA-N. The full InChI is InChI=1S/C11H12INO3S/c1-9(14)13-7-10(12)8-17(15,16)11-5-3-2-4-6-11/h2-6,8H,7H2,1H3,(H,13,14)/b10-8+.
What are the key properties of N-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]acetamide?
N-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]acetamide has a molecular weight of 365.19 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]acetamide is sourced from PubChem (CID 134891520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).