N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-5-iodothiophene-3-carboxamide

C15H17IN2O2S — CID 79691493

IUPACN-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-5-iodothiophene-3-carboxamide
SMILESCCN(CCO)c1ccc(NC(=O)c2csc(I)c2)cc1
InChIInChI=1S/C15H17IN2O2S/c1-2-18(7-8-19)13-5-3-12(4-6-13)17-15(20)11-9-14(16)21-10-11/h3-6,9-10,19H,2,7-8H2,1H3,(H,17,20)
InChIKeySQIQXHUWVKTCIJ-UHFFFAOYSA-N
MW416.28 g/mol
LogP3.42
Rot. Bonds6

About N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-5-iodothiophene-3-carboxamide

N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-5-iodothiophene-3-carboxamide (PubChem CID 79691493) has the molecular formula C15H17IN2O2S and a molecular weight of 416.28 g/mol. Its IUPAC name is N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-5-iodothiophene-3-carboxamide
PubChem CID79691493
Molecular FormulaC15H17IN2O2S
Molecular Weight416.28 g/mol
Exact Mass416.01
IUPAC NameN-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-5-iodothiophene-3-carboxamide
SMILESCCN(CCO)c1ccc(NC(=O)c2csc(I)c2)cc1
InChIInChI=1S/C15H17IN2O2S/c1-2-18(7-8-19)13-5-3-12(4-6-13)17-15(20)11-9-14(16)21-10-11/h3-6,9-10,19H,2,7-8H2,1H3,(H,17,20)
InChIKeySQIQXHUWVKTCIJ-UHFFFAOYSA-N
XLogP3.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-5-iodothiophene-3-carboxamide
CID 78949254
5-iodo-N-(4-propoxyphenyl)thiophene-3-carboxamide
CID 79693136
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1H-pyrazole-4-carboxamide
CID 60933546
N-[4-(diethylamino)phenyl]-3-iodobenzamide
CID 2665797
N-[3-(diethylaminomethyl)phenyl]-5-iodothiophene-3-carboxamide
CID 78949828
N-(4-carbamothioylphenyl)-5-iodothiophene-3-carboxamide
CID 79693852
5-iodo-N-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxamide
CID 78949352
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-iodothiophene-3-carboxamide
CID 79693780
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-methylthiadiazole-5-carboxamide
CID 7553108
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide
CID 79204146
2-[4-[ethyl(2-hydroxyethyl)amino]anilino]propanoic acid
CID 66174751
5-chloro-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]furan-2-carboxamide
CID 106685549

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-5-iodothiophene-3-carboxamide?
The IUPAC name of N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-5-iodothiophene-3-carboxamide (CID 79691493) is N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-5-iodothiophene-3-carboxamide is CCN(CCO)c1ccc(NC(=O)c2csc(I)c2)cc1.
What is the InChIKey of N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-5-iodothiophene-3-carboxamide?
The InChIKey is SQIQXHUWVKTCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2O2S/c1-2-18(7-8-19)13-5-3-12(4-6-13)17-15(20)11-9-14(16)21-10-11/h3-6,9-10,19H,2,7-8H2,1H3,(H,17,20).
What are the key properties of N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-5-iodothiophene-3-carboxamide?
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-5-iodothiophene-3-carboxamide has a molecular weight of 416.28 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 79691493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).