N-(4-iodophenyl)-2-phenylsulfanylacetamide

C14H12INOS — CID 2889258

IUPACN-(4-iodophenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccc(I)cc1
InChIInChI=1S/C14H12INOS/c15-11-6-8-12(9-7-11)16-14(17)10-18-13-4-2-1-3-5-13/h1-9H,10H2,(H,16,17)
InChIKeyOFTXURRIBKAOHC-UHFFFAOYSA-N
MW369.23 g/mol
LogP4.02
Rot. Bonds4

About N-(4-iodophenyl)-2-phenylsulfanylacetamide

N-(4-iodophenyl)-2-phenylsulfanylacetamide (PubChem CID 2889258) has the molecular formula C14H12INOS and a molecular weight of 369.23 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-phenylsulfanylacetamide
PubChem CID2889258
Molecular FormulaC14H12INOS
Molecular Weight369.23 g/mol
Exact Mass368.97
IUPAC NameN-(4-iodophenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccc(I)cc1
InChIInChI=1S/C14H12INOS/c15-11-6-8-12(9-7-11)16-14(17)10-18-13-4-2-1-3-5-13/h1-9H,10H2,(H,16,17)
InChIKeyOFTXURRIBKAOHC-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712821
N-(4-iodophenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19316369
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041
2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 1332250
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712455
methyl 4-[(2-phenylsulfanylacetyl)amino]benzoate
CID 807677
N-(4-nitrophenyl)-2-phenylsulfanylacetamide
CID 3879245
N-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide
CID 134062919
N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
CID 767057
N-(2-chloro-5-iodophenyl)-2-phenylsulfanylacetamide
CID 114258787
N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 1244966
N-[4-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093493

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(4-iodophenyl)-2-phenylsulfanylacetamide (CID 2889258) is N-(4-iodophenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(4-iodophenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(4-iodophenyl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-2-phenylsulfanylacetamide?
The InChIKey is OFTXURRIBKAOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12INOS/c15-11-6-8-12(9-7-11)16-14(17)10-18-13-4-2-1-3-5-13/h1-9H,10H2,(H,16,17).
What are the key properties of N-(4-iodophenyl)-2-phenylsulfanylacetamide?
N-(4-iodophenyl)-2-phenylsulfanylacetamide has a molecular weight of 369.23 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 2889258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).