2-chloro-N-[1-(3-methoxythiophen-2-yl)-2-methylprop-1-enyl]-N-(propan-2-yloxymethyl)acetamide

C15H22ClNO3S — CID 15156079

IUPAC2-chloro-N-[1-(3-methoxythiophen-2-yl)-2-methylprop-1-enyl]-N-(propan-2-yloxymethyl)acetamide
SMILESCOc1ccsc1C(=C(C)C)N(COC(C)C)C(=O)CCl
InChIInChI=1S/C15H22ClNO3S/c1-10(2)14(15-12(19-5)6-7-21-15)17(13(18)8-16)9-20-11(3)4/h6-7,11H,8-9H2,1-5H3
InChIKeyTWKNCJRIQZXRSQ-UHFFFAOYSA-N
MW331.87 g/mol
LogP3.96
Rot. Bonds7

About 2-chloro-N-[1-(3-methoxythiophen-2-yl)-2-methylprop-1-enyl]-N-(propan-2-yloxymethyl)acetamide

2-chloro-N-[1-(3-methoxythiophen-2-yl)-2-methylprop-1-enyl]-N-(propan-2-yloxymethyl)acetamide (PubChem CID 15156079) has the molecular formula C15H22ClNO3S and a molecular weight of 331.87 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-methoxythiophen-2-yl)-2-methylprop-1-enyl]-N-(propan-2-yloxymethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3-methoxythiophen-2-yl)-2-methylprop-1-enyl]-N-(propan-2-yloxymethyl)acetamide
PubChem CID15156079
Molecular FormulaC15H22ClNO3S
Molecular Weight331.87 g/mol
Exact Mass331.10
IUPAC Name2-chloro-N-[1-(3-methoxythiophen-2-yl)-2-methylprop-1-enyl]-N-(propan-2-yloxymethyl)acetamide
SMILESCOc1ccsc1C(=C(C)C)N(COC(C)C)C(=O)CCl
InChIInChI=1S/C15H22ClNO3S/c1-10(2)14(15-12(19-5)6-7-21-15)17(13(18)8-16)9-20-11(3)4/h6-7,11H,8-9H2,1-5H3
InChIKeyTWKNCJRIQZXRSQ-UHFFFAOYSA-N
XLogP3.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-ethyl-6-methoxyphenyl)-N-(propan-2-yloxymethyl)acetamide
CID 154111334
2,2-difluoro-1-(3-methoxythiophen-2-yl)ethanone
CID 103513670
potassium 3-methoxythiophene-2-carboxylate
CID 172727491
1-(3-methoxythiophen-2-yl)butan-1-one
CID 81118922
N-[(2S)-1-aminopropan-2-yl]-3-methoxythiophene-2-carboxamide
CID 120508214
N-carbamoyl-3-methoxythiophene-2-carboxamide
CID 81128193
N-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide
CID 115364635
3-(4-methoxyphenyl)-1-(3-methoxythiophen-2-yl)propan-1-one
CID 81118412
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-methoxythiophene-2-carboxamide
CID 106355861
pent-4-yn-2-yl 3-methoxythiophene-2-carboxylate
CID 71974764
N-(1-chloro-2-methylbutan-2-yl)-3-methoxythiophene-2-carboxamide
CID 114303689
N-[(4-aminophenyl)methyl]-3-methoxythiophene-2-carboxamide
CID 81116990

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-methoxythiophen-2-yl)-2-methylprop-1-enyl]-N-(propan-2-yloxymethyl)acetamide?
The IUPAC name of 2-chloro-N-[1-(3-methoxythiophen-2-yl)-2-methylprop-1-enyl]-N-(propan-2-yloxymethyl)acetamide (CID 15156079) is 2-chloro-N-[1-(3-methoxythiophen-2-yl)-2-methylprop-1-enyl]-N-(propan-2-yloxymethyl)acetamide.
What is the SMILES notation for 2-chloro-N-[1-(3-methoxythiophen-2-yl)-2-methylprop-1-enyl]-N-(propan-2-yloxymethyl)acetamide?
The canonical SMILES for 2-chloro-N-[1-(3-methoxythiophen-2-yl)-2-methylprop-1-enyl]-N-(propan-2-yloxymethyl)acetamide is COc1ccsc1C(=C(C)C)N(COC(C)C)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[1-(3-methoxythiophen-2-yl)-2-methylprop-1-enyl]-N-(propan-2-yloxymethyl)acetamide?
The InChIKey is TWKNCJRIQZXRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3S/c1-10(2)14(15-12(19-5)6-7-21-15)17(13(18)8-16)9-20-11(3)4/h6-7,11H,8-9H2,1-5H3.
What are the key properties of 2-chloro-N-[1-(3-methoxythiophen-2-yl)-2-methylprop-1-enyl]-N-(propan-2-yloxymethyl)acetamide?
2-chloro-N-[1-(3-methoxythiophen-2-yl)-2-methylprop-1-enyl]-N-(propan-2-yloxymethyl)acetamide has a molecular weight of 331.87 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3-methoxythiophen-2-yl)-2-methylprop-1-enyl]-N-(propan-2-yloxymethyl)acetamide is sourced from PubChem (CID 15156079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).