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

C11H16INOS — CID 107860042

IUPACN-(1-iodo-3-methylbutan-2-yl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NC(CI)C(C)C
InChIInChI=1S/C11H16INOS/c1-7(2)10(4-12)13-11(14)9-6-15-5-8(9)3/h5-7,10H,4H2,1-3H3,(H,13,14)
InChIKeyZXCDNKPJVWRUEU-UHFFFAOYSA-N
MW337.23 g/mol
LogP3.25
Rot. Bonds4

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

N-(1-iodo-3-methylbutan-2-yl)-4-methylthiophene-3-carboxamide (PubChem CID 107860042) has the molecular formula C11H16INOS and a molecular weight of 337.23 g/mol. Its IUPAC name is N-(1-iodo-3-methylbutan-2-yl)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-iodo-3-methylbutan-2-yl)-4-methylthiophene-3-carboxamide
PubChem CID107860042
Molecular FormulaC11H16INOS
Molecular Weight337.23 g/mol
Exact Mass337.00
IUPAC NameN-(1-iodo-3-methylbutan-2-yl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NC(CI)C(C)C
InChIInChI=1S/C11H16INOS/c1-7(2)10(4-12)13-11(14)9-6-15-5-8(9)3/h5-7,10H,4H2,1-3H3,(H,13,14)
InChIKeyZXCDNKPJVWRUEU-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-1-sulfanylidenepropan-2-yl)-4-methylthiophene-3-carboxamide
CID 79802281
2-chloro-N-(1-iodo-3-methylbutan-2-yl)-3-methylbenzamide
CID 107859884
3-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-2-methylbenzamide
CID 107859822
N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-4-methylthiophene-3-carboxamide
CID 97228127
N-(1-iodo-3-methylbutan-2-yl)-2-methylsulfanylbenzamide
CID 107860038
(2R)-4-hydroxy-2-[(4-methylthiophene-3-carbonyl)amino]butanoic acid
CID 107823187
4-methyl-N-[2-(methylamino)propyl]thiophene-3-carboxamide
CID 120831829
5-bromo-N-(1-iodo-3-methylbutan-2-yl)thiophene-3-carboxamide
CID 107966482
2,6-dihydroxy-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107859798
N-hex-1-yn-3-yl-4-methylthiophene-3-carboxamide
CID 103529071
N-(1-iodo-3-methylbutan-2-yl)-5-methylfuran-3-carboxamide
CID 107860051
N-(3-bromo-2-methylpropyl)-4-methylthiophene-3-carboxamide
CID 114313291

Frequently Asked Questions

What is the IUPAC name of N-(1-iodo-3-methylbutan-2-yl)-4-methylthiophene-3-carboxamide?
The IUPAC name of N-(1-iodo-3-methylbutan-2-yl)-4-methylthiophene-3-carboxamide (CID 107860042) is N-(1-iodo-3-methylbutan-2-yl)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(1-iodo-3-methylbutan-2-yl)-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-(1-iodo-3-methylbutan-2-yl)-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)NC(CI)C(C)C.
What is the InChIKey of N-(1-iodo-3-methylbutan-2-yl)-4-methylthiophene-3-carboxamide?
The InChIKey is ZXCDNKPJVWRUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INOS/c1-7(2)10(4-12)13-11(14)9-6-15-5-8(9)3/h5-7,10H,4H2,1-3H3,(H,13,14).
What are the key properties of N-(1-iodo-3-methylbutan-2-yl)-4-methylthiophene-3-carboxamide?
N-(1-iodo-3-methylbutan-2-yl)-4-methylthiophene-3-carboxamide has a molecular weight of 337.23 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-iodo-3-methylbutan-2-yl)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 107860042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).