5-bromo-N-[1-(4-iodoanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide

C14H12BrIN2O2S — CID 55831882

IUPAC5-bromo-N-[1-(4-iodoanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C14H12BrIN2O2S/c1-8(17-14(20)11-6-7-12(15)21-11)13(19)18-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,17,20)(H,18,19)
InChIKeyBBLZSRFNVKURPZ-UHFFFAOYSA-N
MW479.14 g/mol
LogP3.87
Rot. Bonds4

About 5-bromo-N-[1-(4-iodoanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide

5-bromo-N-[1-(4-iodoanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 55831882) has the molecular formula C14H12BrIN2O2S and a molecular weight of 479.14 g/mol. Its IUPAC name is 5-bromo-N-[1-(4-iodoanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(4-iodoanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID55831882
Molecular FormulaC14H12BrIN2O2S
Molecular Weight479.14 g/mol
Exact Mass477.88
IUPAC Name5-bromo-N-[1-(4-iodoanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C14H12BrIN2O2S/c1-8(17-14(20)11-6-7-12(15)21-11)13(19)18-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,17,20)(H,18,19)
InChIKeyBBLZSRFNVKURPZ-UHFFFAOYSA-N
XLogP3.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.14
LogP ≤ 53.87
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

5-bromo-N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide
CID 55833327
5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide
CID 64997082
5-bromo-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94193223
5-bromo-N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55833038
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119384927
5-bromo-N-[1-[[4-(4-chloroanilino)-4-oxobutyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55946496
N-[1-[(6-acetamido-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide
CID 55832504
5-bromo-N-[(2S)-1-oxo-1-[[(2S)-4-oxo-4-(propan-2-ylamino)butan-2-yl]amino]propan-2-yl]thiophene-2-carboxamide
CID 95778028
N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide
CID 51963667
5-bromo-N-[1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 120827801
(2S,3S)-2-[2-[(5-bromothiophene-2-carbonyl)amino]propanoylamino]-3-methylpentanoic acid
CID 119193926
N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(4-iodoanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(4-iodoanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 55831882) is 5-bromo-N-[1-(4-iodoanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(4-iodoanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(4-iodoanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(I)cc1.
What is the InChIKey of 5-bromo-N-[1-(4-iodoanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is BBLZSRFNVKURPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrIN2O2S/c1-8(17-14(20)11-6-7-12(15)21-11)13(19)18-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,17,20)(H,18,19).
What are the key properties of 5-bromo-N-[1-(4-iodoanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
5-bromo-N-[1-(4-iodoanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 479.14 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(4-iodoanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55831882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).