N-[3-[2-(4-iodoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide

C25H19IN2O2S2 — CID 18906376

IUPACN-[3-[2-(4-iodoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(SC(C(=O)Nc2ccc(I)cc2)c2ccccc2)c1)c1cccs1
InChIInChI=1S/C25H19IN2O2S2/c26-18-11-13-19(14-12-18)27-25(30)23(17-6-2-1-3-7-17)32-21-9-4-8-20(16-21)28-24(29)22-10-5-15-31-22/h1-16,23H,(H,27,30)(H,28,29)
InChIKeyWLZLQUDRGFUNTO-UHFFFAOYSA-N
MW570.48 g/mol
LogP7.08
Rot. Bonds7

About N-[3-[2-(4-iodoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide

N-[3-[2-(4-iodoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide (PubChem CID 18906376) has the molecular formula C25H19IN2O2S2 and a molecular weight of 570.48 g/mol. Its IUPAC name is N-[3-[2-(4-iodoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(4-iodoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
PubChem CID18906376
Molecular FormulaC25H19IN2O2S2
Molecular Weight570.48 g/mol
Exact Mass569.99
IUPAC NameN-[3-[2-(4-iodoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(SC(C(=O)Nc2ccc(I)cc2)c2ccccc2)c1)c1cccs1
InChIInChI=1S/C25H19IN2O2S2/c26-18-11-13-19(14-12-18)27-25(30)23(17-6-2-1-3-7-17)32-21-9-4-8-20(16-21)28-24(29)22-10-5-15-31-22/h1-16,23H,(H,27,30)(H,28,29)
InChIKeyWLZLQUDRGFUNTO-UHFFFAOYSA-N
XLogP7.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.48
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(4-carbamoylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906394
N-[3-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906360
N-[3-[2-(4-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906353
2-hydroxy-5-[[2-phenyl-2-[3-(thiophene-2-carbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid
CID 18906397
N-[3-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906343
N-[3-[2-(3-chloro-2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906340
N-[4-[2-(3-chloro-4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 23099768
2,3,4,5-tetrachloro-6-[[3-[2-(4-iodoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18896092
4-[[3-[2-(4-iodoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid
CID 18896668
N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 23100908
N-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 22781894
N-[4-[2-(2,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 23101325

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-iodoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[2-(4-iodoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide (CID 18906376) is N-[3-[2-(4-iodoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[2-(4-iodoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[2-(4-iodoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide is O=C(Nc1cccc(SC(C(=O)Nc2ccc(I)cc2)c2ccccc2)c1)c1cccs1.
What is the InChIKey of N-[3-[2-(4-iodoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide?
The InChIKey is WLZLQUDRGFUNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19IN2O2S2/c26-18-11-13-19(14-12-18)27-25(30)23(17-6-2-1-3-7-17)32-21-9-4-8-20(16-21)28-24(29)22-10-5-15-31-22/h1-16,23H,(H,27,30)(H,28,29).
What are the key properties of N-[3-[2-(4-iodoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide?
N-[3-[2-(4-iodoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide has a molecular weight of 570.48 g/mol, XLogP of 7.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-iodoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 18906376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).