5-iodo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylthiophene-3-carboxamide

C15H16INO2S — CID 78948437

IUPAC5-iodo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylthiophene-3-carboxamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)c1csc(I)c1
InChIInChI=1S/C15H16INO2S/c1-10-4-5-13(19-3)11(6-10)8-17(2)15(18)12-7-14(16)20-9-12/h4-7,9H,8H2,1-3H3
InChIKeyOUSVVLQYLHGWJJ-UHFFFAOYSA-N
MW401.27 g/mol
LogP3.94
Rot. Bonds4

About 5-iodo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylthiophene-3-carboxamide

5-iodo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylthiophene-3-carboxamide (PubChem CID 78948437) has the molecular formula C15H16INO2S and a molecular weight of 401.27 g/mol. Its IUPAC name is 5-iodo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylthiophene-3-carboxamide
PubChem CID78948437
Molecular FormulaC15H16INO2S
Molecular Weight401.27 g/mol
Exact Mass400.99
IUPAC Name5-iodo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylthiophene-3-carboxamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)c1csc(I)c1
InChIInChI=1S/C15H16INO2S/c1-10-4-5-13(19-3)11(6-10)8-17(2)15(18)12-7-14(16)20-9-12/h4-7,9H,8H2,1-3H3
InChIKeyOUSVVLQYLHGWJJ-UHFFFAOYSA-N
XLogP3.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.27
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
4-(ethylsulfamoyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide
CID 9469873
N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 60666350
N-[(2,3-dichlorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 79692774
2,3-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide
CID 18118556
N-[[4-(dimethylamino)phenyl]methyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 78949482
4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24550377
tert-butyl N-[4-[(2-methoxy-5-methylphenyl)methyl-methylcarbamoyl]phenyl]carbamate
CID 9469960
2-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpropanamide
CID 107903015
N-[(2,4-dimethylphenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 18117054
N,4-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 17399115
2-(3,4-dimethoxyphenyl)-1-(5-iodothiophen-3-yl)ethanone
CID 79693880

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylthiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylthiophene-3-carboxamide (CID 78948437) is 5-iodo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylthiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylthiophene-3-carboxamide is COc1ccc(C)cc1CN(C)C(=O)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylthiophene-3-carboxamide?
The InChIKey is OUSVVLQYLHGWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO2S/c1-10-4-5-13(19-3)11(6-10)8-17(2)15(18)12-7-14(16)20-9-12/h4-7,9H,8H2,1-3H3.
What are the key properties of 5-iodo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylthiophene-3-carboxamide?
5-iodo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylthiophene-3-carboxamide has a molecular weight of 401.27 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 78948437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).