N-(1-iodo-3-methylbutan-2-yl)-4-methoxythiophene-2-carboxamide

C11H16INO2S — CID 107860185

IUPACN-(1-iodo-3-methylbutan-2-yl)-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NC(CI)C(C)C)c1
InChIInChI=1S/C11H16INO2S/c1-7(2)9(5-12)13-11(14)10-4-8(15-3)6-16-10/h4,6-7,9H,5H2,1-3H3,(H,13,14)
InChIKeyZJZVINHJMGUACY-UHFFFAOYSA-N
MW353.23 g/mol
LogP2.95
Rot. Bonds5

About N-(1-iodo-3-methylbutan-2-yl)-4-methoxythiophene-2-carboxamide

N-(1-iodo-3-methylbutan-2-yl)-4-methoxythiophene-2-carboxamide (PubChem CID 107860185) has the molecular formula C11H16INO2S and a molecular weight of 353.23 g/mol. Its IUPAC name is N-(1-iodo-3-methylbutan-2-yl)-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-iodo-3-methylbutan-2-yl)-4-methoxythiophene-2-carboxamide
PubChem CID107860185
Molecular FormulaC11H16INO2S
Molecular Weight353.23 g/mol
Exact Mass352.99
IUPAC NameN-(1-iodo-3-methylbutan-2-yl)-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NC(CI)C(C)C)c1
InChIInChI=1S/C11H16INO2S/c1-7(2)9(5-12)13-11(14)10-4-8(15-3)6-16-10/h4,6-7,9H,5H2,1-3H3,(H,13,14)
InChIKeyZJZVINHJMGUACY-UHFFFAOYSA-N
XLogP2.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-4-methoxythiophene-2-carboxamide
CID 81121736
N-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide
CID 115283653
N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-methoxythiophene-2-carboxamide
CID 71865619
4-methoxy-N-(2-methylpropoxy)thiophene-2-carboxamide
CID 115410128
N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide
CID 81121281
4-amino-2-[(4-methoxythiophene-2-carbonyl)amino]-4-oxobutanoic acid
CID 81117804
N-(2-amino-3-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 81119658
(2S)-2-[(4-methoxythiophene-2-carbonyl)amino]pentanoic acid
CID 107564238
2-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-5-methoxybenzamide
CID 107859859
N-(2-aminobutyl)-4-methoxythiophene-2-carboxamide
CID 81118589
N-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide
CID 114301701
N-hex-5-yn-3-yl-4-methoxythiophene-2-carboxamide
CID 115670893

Frequently Asked Questions

What is the IUPAC name of N-(1-iodo-3-methylbutan-2-yl)-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-(1-iodo-3-methylbutan-2-yl)-4-methoxythiophene-2-carboxamide (CID 107860185) is N-(1-iodo-3-methylbutan-2-yl)-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(1-iodo-3-methylbutan-2-yl)-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(1-iodo-3-methylbutan-2-yl)-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)NC(CI)C(C)C)c1.
What is the InChIKey of N-(1-iodo-3-methylbutan-2-yl)-4-methoxythiophene-2-carboxamide?
The InChIKey is ZJZVINHJMGUACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO2S/c1-7(2)9(5-12)13-11(14)10-4-8(15-3)6-16-10/h4,6-7,9H,5H2,1-3H3,(H,13,14).
What are the key properties of N-(1-iodo-3-methylbutan-2-yl)-4-methoxythiophene-2-carboxamide?
N-(1-iodo-3-methylbutan-2-yl)-4-methoxythiophene-2-carboxamide has a molecular weight of 353.23 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-iodo-3-methylbutan-2-yl)-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 107860185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).