N-(4-cyclopentylsulfanylphenyl)-5-iodothiophene-3-carboxamide

C16H16INOS2 — CID 79691673

IUPACN-(4-cyclopentylsulfanylphenyl)-5-iodothiophene-3-carboxamide
SMILESO=C(Nc1ccc(SC2CCCC2)cc1)c1csc(I)c1
InChIInChI=1S/C16H16INOS2/c17-15-9-11(10-20-15)16(19)18-12-5-7-14(8-6-12)21-13-3-1-2-4-13/h5-10,13H,1-4H2,(H,18,19)
InChIKeyDRXUTNBKFSNYDF-UHFFFAOYSA-N
MW429.35 g/mol
LogP5.64
Rot. Bonds4

About N-(4-cyclopentylsulfanylphenyl)-5-iodothiophene-3-carboxamide

N-(4-cyclopentylsulfanylphenyl)-5-iodothiophene-3-carboxamide (PubChem CID 79691673) has the molecular formula C16H16INOS2 and a molecular weight of 429.35 g/mol. Its IUPAC name is N-(4-cyclopentylsulfanylphenyl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopentylsulfanylphenyl)-5-iodothiophene-3-carboxamide
PubChem CID79691673
Molecular FormulaC16H16INOS2
Molecular Weight429.35 g/mol
Exact Mass428.97
IUPAC NameN-(4-cyclopentylsulfanylphenyl)-5-iodothiophene-3-carboxamide
SMILESO=C(Nc1ccc(SC2CCCC2)cc1)c1csc(I)c1
InChIInChI=1S/C16H16INOS2/c17-15-9-11(10-20-15)16(19)18-12-5-7-14(8-6-12)21-13-3-1-2-4-13/h5-10,13H,1-4H2,(H,18,19)
InChIKeyDRXUTNBKFSNYDF-UHFFFAOYSA-N
XLogP5.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.35
LogP ≤ 55.64
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

5-iodo-N-(4-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide
CID 78948690
N-(4-carbamothioylphenyl)-5-iodothiophene-3-carboxamide
CID 79693852
N-(4-cyclopentylsulfanylphenyl)cyclopentanecarboxamide
CID 37400543
N-(4-cyclopentylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 37400585
3-amino-N-(4-cyclopentylsulfanylphenyl)propanamide
CID 43710113
5-iodo-N-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxamide
CID 78949352
N-(4-ethoxyphenyl)-5-iodothiophene-3-carboxamide
CID 78949254
N-(4-cyclopentylsulfanylphenyl)-1-oxidopyridin-1-ium-2-carboxamide
CID 60509848
2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide
CID 43700029
N-(4-cyclopentylsulfanylphenyl)-2-nitrobenzamide
CID 37400579
N-(cyclopentylmethyl)-5-iodothiophene-3-carboxamide
CID 78948345
5-iodo-N-(4-propoxyphenyl)thiophene-3-carboxamide
CID 79693136

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylsulfanylphenyl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(4-cyclopentylsulfanylphenyl)-5-iodothiophene-3-carboxamide (CID 79691673) is N-(4-cyclopentylsulfanylphenyl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(4-cyclopentylsulfanylphenyl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(4-cyclopentylsulfanylphenyl)-5-iodothiophene-3-carboxamide is O=C(Nc1ccc(SC2CCCC2)cc1)c1csc(I)c1.
What is the InChIKey of N-(4-cyclopentylsulfanylphenyl)-5-iodothiophene-3-carboxamide?
The InChIKey is DRXUTNBKFSNYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INOS2/c17-15-9-11(10-20-15)16(19)18-12-5-7-14(8-6-12)21-13-3-1-2-4-13/h5-10,13H,1-4H2,(H,18,19).
What are the key properties of N-(4-cyclopentylsulfanylphenyl)-5-iodothiophene-3-carboxamide?
N-(4-cyclopentylsulfanylphenyl)-5-iodothiophene-3-carboxamide has a molecular weight of 429.35 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylsulfanylphenyl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 79691673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).