N-(1-chloro-4-methylpentan-3-yl)-5-iodothiophene-3-carboxamide

C11H15ClINOS — CID 106354884

IUPACN-(1-chloro-4-methylpentan-3-yl)-5-iodothiophene-3-carboxamide
SMILESCC(C)C(CCCl)NC(=O)c1csc(I)c1
InChIInChI=1S/C11H15ClINOS/c1-7(2)9(3-4-12)14-11(15)8-5-10(13)16-6-8/h5-7,9H,3-4H2,1-2H3,(H,14,15)
InChIKeyBYCJUKUCZVFSIJ-UHFFFAOYSA-N
MW371.67 g/mol
LogP3.74
Rot. Bonds5

About N-(1-chloro-4-methylpentan-3-yl)-5-iodothiophene-3-carboxamide

N-(1-chloro-4-methylpentan-3-yl)-5-iodothiophene-3-carboxamide (PubChem CID 106354884) has the molecular formula C11H15ClINOS and a molecular weight of 371.67 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-3-yl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-3-yl)-5-iodothiophene-3-carboxamide
PubChem CID106354884
Molecular FormulaC11H15ClINOS
Molecular Weight371.67 g/mol
Exact Mass370.96
IUPAC NameN-(1-chloro-4-methylpentan-3-yl)-5-iodothiophene-3-carboxamide
SMILESCC(C)C(CCCl)NC(=O)c1csc(I)c1
InChIInChI=1S/C11H15ClINOS/c1-7(2)9(3-4-12)14-11(15)8-5-10(13)16-6-8/h5-7,9H,3-4H2,1-2H3,(H,14,15)
InChIKeyBYCJUKUCZVFSIJ-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.67
LogP ≤ 53.74
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

5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 78949917
(2S)-2-[(5-iodothiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 79684876
5-iodo-N-(4-methoxybutan-2-yl)thiophene-3-carboxamide
CID 78948996
N-(1-chloro-4-methylpentan-3-yl)-3,4-dimethylbenzamide
CID 114177722
3-chloro-N-(1-chloro-4-methylpentan-3-yl)-4-iodobenzamide
CID 106354755
5-iodo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 79692763
N-(1-chloro-4-methylpentan-3-yl)-3,4-dihydroxybenzamide
CID 106354668
5-bromo-N-(1-iodo-3-methylbutan-2-yl)thiophene-3-carboxamide
CID 107966482
N-(4-ethylsulfanylbutan-2-yl)-5-iodothiophene-3-carboxamide
CID 115662170
3-chloro-N-(1-chloro-4-methylpentan-3-yl)-5-methylbenzamide
CID 106355004
5-iodo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide
CID 104854913
N-[1-(4-chlorophenyl)-2-methylpropyl]-5-iodothiophene-3-carboxamide
CID 79693410

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-3-yl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(1-chloro-4-methylpentan-3-yl)-5-iodothiophene-3-carboxamide (CID 106354884) is N-(1-chloro-4-methylpentan-3-yl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-3-yl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-3-yl)-5-iodothiophene-3-carboxamide is CC(C)C(CCCl)NC(=O)c1csc(I)c1.
What is the InChIKey of N-(1-chloro-4-methylpentan-3-yl)-5-iodothiophene-3-carboxamide?
The InChIKey is BYCJUKUCZVFSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClINOS/c1-7(2)9(3-4-12)14-11(15)8-5-10(13)16-6-8/h5-7,9H,3-4H2,1-2H3,(H,14,15).
What are the key properties of N-(1-chloro-4-methylpentan-3-yl)-5-iodothiophene-3-carboxamide?
N-(1-chloro-4-methylpentan-3-yl)-5-iodothiophene-3-carboxamide has a molecular weight of 371.67 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-3-yl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 106354884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).