2-[[2-(3-iodophenyl)acetyl]amino]thiophene-3-carboxamide

C13H11IN2O2S — CID 54585084

IUPAC2-[[2-(3-iodophenyl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)Cc1cccc(I)c1
InChIInChI=1S/C13H11IN2O2S/c14-9-3-1-2-8(6-9)7-11(17)16-13-10(12(15)18)4-5-19-13/h1-6H,7H2,(H2,15,18)(H,16,17)
InChIKeyFTOMPYNWHHBPMV-UHFFFAOYSA-N
MW386.21 g/mol
LogP2.63
Rot. Bonds4

About 2-[[2-(3-iodophenyl)acetyl]amino]thiophene-3-carboxamide

2-[[2-(3-iodophenyl)acetyl]amino]thiophene-3-carboxamide (PubChem CID 54585084) has the molecular formula C13H11IN2O2S and a molecular weight of 386.21 g/mol. Its IUPAC name is 2-[[2-(3-iodophenyl)acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(3-iodophenyl)acetyl]amino]thiophene-3-carboxamide
PubChem CID54585084
Molecular FormulaC13H11IN2O2S
Molecular Weight386.21 g/mol
Exact Mass385.96
IUPAC Name2-[[2-(3-iodophenyl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)Cc1cccc(I)c1
InChIInChI=1S/C13H11IN2O2S/c14-9-3-1-2-8(6-9)7-11(17)16-13-10(12(15)18)4-5-19-13/h1-6H,7H2,(H2,15,18)(H,16,17)
InChIKeyFTOMPYNWHHBPMV-UHFFFAOYSA-N
XLogP2.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.21
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(3-aminophenyl)acetyl]amino]thiophene-3-carboxamide
CID 65350067
2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide
CID 16849419
2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxamide
CID 2091135
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxamide
CID 1246796
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-iodobenzoate
CID 3513023
2-(4-chlorobutanoylamino)thiophene-3-carboxamide
CID 63309353
2-(4-aminobutanoylamino)thiophene-3-carboxamide
CID 61251927
2-(4-hydroxybutanoylamino)thiophene-3-carboxamide
CID 79193054
2-(3-iodophenyl)-N-methylacetamide
CID 130614224
2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide
CID 8794919
2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 43249185

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-iodophenyl)acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(3-iodophenyl)acetyl]amino]thiophene-3-carboxamide (CID 54585084) is 2-[[2-(3-iodophenyl)acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(3-iodophenyl)acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(3-iodophenyl)acetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)Cc1cccc(I)c1.
What is the InChIKey of 2-[[2-(3-iodophenyl)acetyl]amino]thiophene-3-carboxamide?
The InChIKey is FTOMPYNWHHBPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN2O2S/c14-9-3-1-2-8(6-9)7-11(17)16-13-10(12(15)18)4-5-19-13/h1-6H,7H2,(H2,15,18)(H,16,17).
What are the key properties of 2-[[2-(3-iodophenyl)acetyl]amino]thiophene-3-carboxamide?
2-[[2-(3-iodophenyl)acetyl]amino]thiophene-3-carboxamide has a molecular weight of 386.21 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-iodophenyl)acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 54585084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).