5-iodo-N-[1-(3-propan-2-yloxyphenyl)ethyl]thiophene-3-carboxamide

C16H18INO2S — CID 78949901

IUPAC5-iodo-N-[1-(3-propan-2-yloxyphenyl)ethyl]thiophene-3-carboxamide
SMILESCC(C)Oc1cccc(C(C)NC(=O)c2csc(I)c2)c1
InChIInChI=1S/C16H18INO2S/c1-10(2)20-14-6-4-5-12(7-14)11(3)18-16(19)13-8-15(17)21-9-13/h4-11H,1-3H3,(H,18,19)
InChIKeyXMWRYYVIGDDXFL-UHFFFAOYSA-N
MW415.30 g/mol
LogP4.63
Rot. Bonds5

About 5-iodo-N-[1-(3-propan-2-yloxyphenyl)ethyl]thiophene-3-carboxamide

5-iodo-N-[1-(3-propan-2-yloxyphenyl)ethyl]thiophene-3-carboxamide (PubChem CID 78949901) has the molecular formula C16H18INO2S and a molecular weight of 415.30 g/mol. Its IUPAC name is 5-iodo-N-[1-(3-propan-2-yloxyphenyl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-[1-(3-propan-2-yloxyphenyl)ethyl]thiophene-3-carboxamide
PubChem CID78949901
Molecular FormulaC16H18INO2S
Molecular Weight415.30 g/mol
Exact Mass415.01
IUPAC Name5-iodo-N-[1-(3-propan-2-yloxyphenyl)ethyl]thiophene-3-carboxamide
SMILESCC(C)Oc1cccc(C(C)NC(=O)c2csc(I)c2)c1
InChIInChI=1S/C16H18INO2S/c1-10(2)20-14-6-4-5-12(7-14)11(3)18-16(19)13-8-15(17)21-9-13/h4-11H,1-3H3,(H,18,19)
InChIKeyXMWRYYVIGDDXFL-UHFFFAOYSA-N
XLogP4.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.30
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide
CID 78949059
5-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide
CID 79691672
3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 46487521
N-[1-(4-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide
CID 78948691
5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 78949917
3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride
CID 119721111
2-(methylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 43705705
(2R)-2-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 54995688
N-[1-(3-propan-2-yloxyphenyl)ethyl]-1,2,5-thiadiazole-3-carboxamide
CID 47262615
4-(cyclopropylsulfamoyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 55713773
3-(difluoromethoxy)-4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 55743462
2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 62729345

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[1-(3-propan-2-yloxyphenyl)ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-[1-(3-propan-2-yloxyphenyl)ethyl]thiophene-3-carboxamide (CID 78949901) is 5-iodo-N-[1-(3-propan-2-yloxyphenyl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-[1-(3-propan-2-yloxyphenyl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-[1-(3-propan-2-yloxyphenyl)ethyl]thiophene-3-carboxamide is CC(C)Oc1cccc(C(C)NC(=O)c2csc(I)c2)c1.
What is the InChIKey of 5-iodo-N-[1-(3-propan-2-yloxyphenyl)ethyl]thiophene-3-carboxamide?
The InChIKey is XMWRYYVIGDDXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18INO2S/c1-10(2)20-14-6-4-5-12(7-14)11(3)18-16(19)13-8-15(17)21-9-13/h4-11H,1-3H3,(H,18,19).
What are the key properties of 5-iodo-N-[1-(3-propan-2-yloxyphenyl)ethyl]thiophene-3-carboxamide?
5-iodo-N-[1-(3-propan-2-yloxyphenyl)ethyl]thiophene-3-carboxamide has a molecular weight of 415.30 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[1-(3-propan-2-yloxyphenyl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 78949901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).