5-iodo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiophene-3-carboxamide

C12H18INO3S — CID 78948411

IUPAC5-iodo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiophene-3-carboxamide
SMILESCOCCN(C(=O)c1csc(I)c1)C(C)COC
InChIInChI=1S/C12H18INO3S/c1-9(7-17-3)14(4-5-16-2)12(15)10-6-11(13)18-8-10/h6,8-9H,4-5,7H2,1-3H3
InChIKeyALDKZAUJRHJZQD-UHFFFAOYSA-N
MW383.25 g/mol
LogP2.48
Rot. Bonds7

About 5-iodo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiophene-3-carboxamide

5-iodo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiophene-3-carboxamide (PubChem CID 78948411) has the molecular formula C12H18INO3S and a molecular weight of 383.25 g/mol. Its IUPAC name is 5-iodo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiophene-3-carboxamide
PubChem CID78948411
Molecular FormulaC12H18INO3S
Molecular Weight383.25 g/mol
Exact Mass383.01
IUPAC Name5-iodo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiophene-3-carboxamide
SMILESCOCCN(C(=O)c1csc(I)c1)C(C)COC
InChIInChI=1S/C12H18INO3S/c1-9(7-17-3)14(4-5-16-2)12(15)10-6-11(13)18-8-10/h6,8-9H,4-5,7H2,1-3H3
InChIKeyALDKZAUJRHJZQD-UHFFFAOYSA-N
XLogP2.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiophene-3-carboxamide
CID 79690255
5-iodo-N-(4-methoxybutan-2-yl)thiophene-3-carboxamide
CID 78948996
4-fluoro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 54978956
5-iodo-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-carboxamide
CID 79693520
4-hydroxy-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methylbenzamide
CID 103957082
2-[(5-iodothiophene-3-carbonyl)-propan-2-ylamino]acetic acid
CID 79685739
N-(2-chloroethyl)-5-iodo-N-pentan-3-ylthiophene-3-carboxamide
CID 79690111
N-(2-hydroxy-3-methoxypropyl)-5-iodothiophene-3-carboxamide
CID 79693699
5-iodo-N,N-dipropylthiophene-3-carboxamide
CID 78948915
3-bromo-4-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 103841754
N-(1-bromopropan-2-yl)-5-iodo-N-methylthiophene-3-carboxamide
CID 104556113
5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-carboxamide
CID 82960300

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiophene-3-carboxamide (CID 78948411) is 5-iodo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiophene-3-carboxamide is COCCN(C(=O)c1csc(I)c1)C(C)COC.
What is the InChIKey of 5-iodo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiophene-3-carboxamide?
The InChIKey is ALDKZAUJRHJZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18INO3S/c1-9(7-17-3)14(4-5-16-2)12(15)10-6-11(13)18-8-10/h6,8-9H,4-5,7H2,1-3H3.
What are the key properties of 5-iodo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiophene-3-carboxamide?
5-iodo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiophene-3-carboxamide has a molecular weight of 383.25 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 78948411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).