N-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide

C11H16ClNO2S — CID 115364635

IUPACN-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NCC(C)(C)CCl
InChIInChI=1S/C11H16ClNO2S/c1-11(2,6-12)7-13-10(14)9-8(15-3)4-5-16-9/h4-5H,6-7H2,1-3H3,(H,13,14)
InChIKeyGUOGZXAUWJNRBT-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.75
Rot. Bonds5

About N-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide

N-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide (PubChem CID 115364635) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is N-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide
PubChem CID115364635
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC NameN-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NCC(C)(C)CCl
InChIInChI=1S/C11H16ClNO2S/c1-11(2,6-12)7-13-10(14)9-8(15-3)4-5-16-9/h4-5H,6-7H2,1-3H3,(H,13,14)
InChIKeyGUOGZXAUWJNRBT-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
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-[2-(chloromethyl)-2-ethylbutyl]-3-methoxythiophene-2-carboxamide
CID 106253944
N-(1-chloro-2-methylbutan-2-yl)-3-methoxythiophene-2-carboxamide
CID 114303689
N-(2-hydroxy-2,5-dimethylhexyl)-3-methoxythiophene-2-carboxamide
CID 111485302
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-methoxythiophene-2-carboxamide
CID 106355861
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-methoxythiophene-2-carboxamide
CID 111335366
N-(3-chloro-2,2-dimethylpropyl)-4-methoxybenzamide
CID 115364498
N-carbamoyl-3-methoxythiophene-2-carboxamide
CID 81128193
methyl 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoate
CID 113344178
2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoic acid
CID 81127121
N-(2-chloro-3-ethylpentyl)-3-methoxythiophene-2-carboxamide
CID 114168687
N-[2-(4-chlorophenyl)propan-2-yl]-3-methoxythiophene-2-carboxamide
CID 110445987
N-[(4-aminophenyl)methyl]-3-methoxythiophene-2-carboxamide
CID 81116990

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide (CID 115364635) is N-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)NCC(C)(C)CCl.
What is the InChIKey of N-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide?
The InChIKey is GUOGZXAUWJNRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-11(2,6-12)7-13-10(14)9-8(15-3)4-5-16-9/h4-5H,6-7H2,1-3H3,(H,13,14).
What are the key properties of N-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide?
N-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide has a molecular weight of 261.77 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 115364635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).