5-iodo-N-(1-phenylpropan-2-yl)thiophene-3-carboxamide

C14H14INOS — CID 79692781

IUPAC5-iodo-N-(1-phenylpropan-2-yl)thiophene-3-carboxamide
SMILESCC(Cc1ccccc1)NC(=O)c1csc(I)c1
InChIInChI=1S/C14H14INOS/c1-10(7-11-5-3-2-4-6-11)16-14(17)12-8-13(15)18-9-12/h2-6,8-10H,7H2,1H3,(H,16,17)
InChIKeyAXYJUAXMPDWICN-UHFFFAOYSA-N
MW371.24 g/mol
LogP3.71
Rot. Bonds4

About 5-iodo-N-(1-phenylpropan-2-yl)thiophene-3-carboxamide

5-iodo-N-(1-phenylpropan-2-yl)thiophene-3-carboxamide (PubChem CID 79692781) has the molecular formula C14H14INOS and a molecular weight of 371.24 g/mol. Its IUPAC name is 5-iodo-N-(1-phenylpropan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-(1-phenylpropan-2-yl)thiophene-3-carboxamide
PubChem CID79692781
Molecular FormulaC14H14INOS
Molecular Weight371.24 g/mol
Exact Mass370.98
IUPAC Name5-iodo-N-(1-phenylpropan-2-yl)thiophene-3-carboxamide
SMILESCC(Cc1ccccc1)NC(=O)c1csc(I)c1
InChIInChI=1S/C14H14INOS/c1-10(7-11-5-3-2-4-6-11)16-14(17)12-8-13(15)18-9-12/h2-6,8-10H,7H2,1H3,(H,16,17)
InChIKeyAXYJUAXMPDWICN-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 53.71
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

5-iodo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-3-carboxamide
CID 78948571
5-iodo-N-(4-methoxybutan-2-yl)thiophene-3-carboxamide
CID 78948996
5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 78949917
5-iodo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide
CID 104854913
(2S)-2-[(5-iodothiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 79684876
N-(4-ethylsulfanylbutan-2-yl)-5-iodothiophene-3-carboxamide
CID 115662170
N-(1-phenylpropan-2-yl)-4-sulfanylbenzamide
CID 107029231
5-iodo-N-(2-phenylpropyl)thiophene-3-carboxamide
CID 78948957
5-iodo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 79692763
3,5-dinitro-N-[(2R)-1-phenylpropan-2-yl]benzamide
CID 14747473
5-iodo-N-(1-piperidin-1-ylpropan-2-yl)thiophene-3-carboxamide
CID 78950186
3,4-dimethoxy-N-(1-phenylpropan-2-yl)benzamide
CID 2843229

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(1-phenylpropan-2-yl)thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-(1-phenylpropan-2-yl)thiophene-3-carboxamide (CID 79692781) is 5-iodo-N-(1-phenylpropan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-(1-phenylpropan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-(1-phenylpropan-2-yl)thiophene-3-carboxamide is CC(Cc1ccccc1)NC(=O)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-(1-phenylpropan-2-yl)thiophene-3-carboxamide?
The InChIKey is AXYJUAXMPDWICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INOS/c1-10(7-11-5-3-2-4-6-11)16-14(17)12-8-13(15)18-9-12/h2-6,8-10H,7H2,1H3,(H,16,17).
What are the key properties of 5-iodo-N-(1-phenylpropan-2-yl)thiophene-3-carboxamide?
5-iodo-N-(1-phenylpropan-2-yl)thiophene-3-carboxamide has a molecular weight of 371.24 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(1-phenylpropan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 79692781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).