N-(1-chloro-2-methylbutan-2-yl)-3-methoxythiophene-2-carboxamide

C11H16ClNO2S — CID 114303689

IUPACN-(1-chloro-2-methylbutan-2-yl)-3-methoxythiophene-2-carboxamide
SMILESCCC(C)(CCl)NC(=O)c1sccc1OC
InChIInChI=1S/C11H16ClNO2S/c1-4-11(2,7-12)13-10(14)9-8(15-3)5-6-16-9/h5-6H,4,7H2,1-3H3,(H,13,14)
InChIKeyJNNFLPULNVTOEG-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.89
Rot. Bonds5

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

N-(1-chloro-2-methylbutan-2-yl)-3-methoxythiophene-2-carboxamide (PubChem CID 114303689) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is N-(1-chloro-2-methylbutan-2-yl)-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-2-methylbutan-2-yl)-3-methoxythiophene-2-carboxamide
PubChem CID114303689
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC NameN-(1-chloro-2-methylbutan-2-yl)-3-methoxythiophene-2-carboxamide
SMILESCCC(C)(CCl)NC(=O)c1sccc1OC
InChIInChI=1S/C11H16ClNO2S/c1-4-11(2,7-12)13-10(14)9-8(15-3)5-6-16-9/h5-6H,4,7H2,1-3H3,(H,13,14)
InChIKeyJNNFLPULNVTOEG-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide
CID 115364635
N-[2-(chloromethyl)-2-ethylbutyl]-3-methoxythiophene-2-carboxamide
CID 106253944
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-methoxythiophene-2-carboxamide
CID 107867966
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methoxythiophene-2-carboxamide
CID 81122517
methyl 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methylpentanoate
CID 78945933
N-(1-chloro-2-methylbutan-2-yl)-2,3-dimethoxybenzamide
CID 113273131
N-[2-(4-chlorophenyl)propan-2-yl]-3-methoxythiophene-2-carboxamide
CID 110445987
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-methoxythiophene-2-carboxamide
CID 106355861
N-(1-chloro-2-methylbutan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 114303621
N-(1-chloro-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 114303827
methyl 3-[(3-bromothiophene-2-carbonyl)amino]-3-methylpentanoate
CID 71863499
2-[(3-methoxythiophene-2-carbonyl)amino]-2-methyl-3-phenoxypropanoic acid
CID 71915606

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylbutan-2-yl)-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-(1-chloro-2-methylbutan-2-yl)-3-methoxythiophene-2-carboxamide (CID 114303689) is N-(1-chloro-2-methylbutan-2-yl)-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(1-chloro-2-methylbutan-2-yl)-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(1-chloro-2-methylbutan-2-yl)-3-methoxythiophene-2-carboxamide is CCC(C)(CCl)NC(=O)c1sccc1OC.
What is the InChIKey of N-(1-chloro-2-methylbutan-2-yl)-3-methoxythiophene-2-carboxamide?
The InChIKey is JNNFLPULNVTOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-4-11(2,7-12)13-10(14)9-8(15-3)5-6-16-9/h5-6H,4,7H2,1-3H3,(H,13,14).
What are the key properties of N-(1-chloro-2-methylbutan-2-yl)-3-methoxythiophene-2-carboxamide?
N-(1-chloro-2-methylbutan-2-yl)-3-methoxythiophene-2-carboxamide has a molecular weight of 261.77 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylbutan-2-yl)-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 114303689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).