5-iodo-N-[1-(2-methoxy-5-methylphenyl)ethyl]thiophene-3-carboxamide

C15H16INO2S — CID 78948546

IUPAC5-iodo-N-[1-(2-methoxy-5-methylphenyl)ethyl]thiophene-3-carboxamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)c1csc(I)c1
InChIInChI=1S/C15H16INO2S/c1-9-4-5-13(19-3)12(6-9)10(2)17-15(18)11-7-14(16)20-8-11/h4-8,10H,1-3H3,(H,17,18)
InChIKeyVHMLBQOSQDVABR-UHFFFAOYSA-N
MW401.27 g/mol
LogP4.16
Rot. Bonds4

About 5-iodo-N-[1-(2-methoxy-5-methylphenyl)ethyl]thiophene-3-carboxamide

5-iodo-N-[1-(2-methoxy-5-methylphenyl)ethyl]thiophene-3-carboxamide (PubChem CID 78948546) has the molecular formula C15H16INO2S and a molecular weight of 401.27 g/mol. Its IUPAC name is 5-iodo-N-[1-(2-methoxy-5-methylphenyl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-[1-(2-methoxy-5-methylphenyl)ethyl]thiophene-3-carboxamide
PubChem CID78948546
Molecular FormulaC15H16INO2S
Molecular Weight401.27 g/mol
Exact Mass400.99
IUPAC Name5-iodo-N-[1-(2-methoxy-5-methylphenyl)ethyl]thiophene-3-carboxamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)c1csc(I)c1
InChIInChI=1S/C15H16INO2S/c1-9-4-5-13(19-3)12(6-9)10(2)17-15(18)11-7-14(16)20-8-11/h4-8,10H,1-3H3,(H,17,18)
InChIKeyVHMLBQOSQDVABR-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.27
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349
3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262765
3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212297
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 9048385
4-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 47018462
4-(methanesulfonamido)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 42120084
4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 134006936
4-cyano-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262341
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42928249
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide
CID 41277485
2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[1-(2-methoxy-5-methylphenyl)ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-[1-(2-methoxy-5-methylphenyl)ethyl]thiophene-3-carboxamide (CID 78948546) is 5-iodo-N-[1-(2-methoxy-5-methylphenyl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-[1-(2-methoxy-5-methylphenyl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-[1-(2-methoxy-5-methylphenyl)ethyl]thiophene-3-carboxamide is COc1ccc(C)cc1C(C)NC(=O)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-[1-(2-methoxy-5-methylphenyl)ethyl]thiophene-3-carboxamide?
The InChIKey is VHMLBQOSQDVABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO2S/c1-9-4-5-13(19-3)12(6-9)10(2)17-15(18)11-7-14(16)20-8-11/h4-8,10H,1-3H3,(H,17,18).
What are the key properties of 5-iodo-N-[1-(2-methoxy-5-methylphenyl)ethyl]thiophene-3-carboxamide?
5-iodo-N-[1-(2-methoxy-5-methylphenyl)ethyl]thiophene-3-carboxamide has a molecular weight of 401.27 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[1-(2-methoxy-5-methylphenyl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 78948546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).