3-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide

C11H14ClNO2S — CID 114469581

IUPAC3-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
SMILESC=C(C)COCCNC(=O)c1sccc1Cl
InChIInChI=1S/C11H14ClNO2S/c1-8(2)7-15-5-4-13-11(14)10-9(12)3-6-16-10/h3,6H,1,4-5,7H2,2H3,(H,13,14)
InChIKeyUSVVEJIBVGMMER-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.72
Rot. Bonds6

About 3-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide

3-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide (PubChem CID 114469581) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is 3-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
PubChem CID114469581
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name3-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
SMILESC=C(C)COCCNC(=O)c1sccc1Cl
InChIInChI=1S/C11H14ClNO2S/c1-8(2)7-15-5-4-13-11(14)10-9(12)3-6-16-10/h3,6H,1,4-5,7H2,2H3,(H,13,14)
InChIKeyUSVVEJIBVGMMER-UHFFFAOYSA-N
XLogP2.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
CID 115700346
3-chloro-N-[3-(2-chloroethoxy)propyl]thiophene-2-carboxamide
CID 106307128
N-(3-bromopropyl)-3-chlorothiophene-2-carboxamide
CID 80641343
2-chloro-5-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 106502213
4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
CID 113258486
2-[2-[(3-ethylthiophene-2-carbonyl)amino]ethoxy]acetic acid
CID 79457347
3,5-dichloro-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699714
2-chloro-4,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699924
N-(3-amino-3-sulfanylidenepropyl)-3-chlorothiophene-2-carboxamide
CID 80644124
2-(2,4-dichlorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699674
5-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
CID 80645328
ethyl 2-[(3-chlorothiophene-2-carbonyl)amino]acetate
CID 80641030

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide (CID 114469581) is 3-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide is C=C(C)COCCNC(=O)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide?
The InChIKey is USVVEJIBVGMMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-8(2)7-15-5-4-13-11(14)10-9(12)3-6-16-10/h3,6H,1,4-5,7H2,2H3,(H,13,14).
What are the key properties of 3-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide?
3-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide has a molecular weight of 259.76 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 114469581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).