N-[2-(dimethylamino)-2-phenylethyl]-5-iodothiophene-3-carboxamide

C15H17IN2OS — CID 78949054

IUPACN-[2-(dimethylamino)-2-phenylethyl]-5-iodothiophene-3-carboxamide
SMILESCN(C)C(CNC(=O)c1csc(I)c1)c1ccccc1
InChIInChI=1S/C15H17IN2OS/c1-18(2)13(11-6-4-3-5-7-11)9-17-15(19)12-8-14(16)20-10-12/h3-8,10,13H,9H2,1-2H3,(H,17,19)
InChIKeyXIADCXPCAYCVSD-UHFFFAOYSA-N
MW400.29 g/mol
LogP3.39
Rot. Bonds5

About N-[2-(dimethylamino)-2-phenylethyl]-5-iodothiophene-3-carboxamide

N-[2-(dimethylamino)-2-phenylethyl]-5-iodothiophene-3-carboxamide (PubChem CID 78949054) has the molecular formula C15H17IN2OS and a molecular weight of 400.29 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-5-iodothiophene-3-carboxamide
PubChem CID78949054
Molecular FormulaC15H17IN2OS
Molecular Weight400.29 g/mol
Exact Mass400.01
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-5-iodothiophene-3-carboxamide
SMILESCN(C)C(CNC(=O)c1csc(I)c1)c1ccccc1
InChIInChI=1S/C15H17IN2OS/c1-18(2)13(11-6-4-3-5-7-11)9-17-15(19)12-8-14(16)20-10-12/h3-8,10,13H,9H2,1-2H3,(H,17,19)
InChIKeyXIADCXPCAYCVSD-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.29
LogP ≤ 53.39
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-(2-phenylpropyl)thiophene-3-carboxamide
CID 78948957
3-[(5-iodothiophene-3-carbonyl)amino]-2-phenylpropanoic acid
CID 79685262
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-5-sulfamoylthiophene-3-carboxamide
CID 94762614
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3,5-difluorobenzamide
CID 7897282
N-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide
CID 79693045
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyridine-4-carboxamide
CID 32730765
4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 45001444
3-(dimethylamino)-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 42891486
3-[(5-iodothiophene-3-carbonyl)amino]-2-methoxypropanoic acid
CID 106107566
5-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-3-carboxamide
CID 46578078

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-5-iodothiophene-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-5-iodothiophene-3-carboxamide (CID 78949054) is N-[2-(dimethylamino)-2-phenylethyl]-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-5-iodothiophene-3-carboxamide is CN(C)C(CNC(=O)c1csc(I)c1)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-5-iodothiophene-3-carboxamide?
The InChIKey is XIADCXPCAYCVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2OS/c1-18(2)13(11-6-4-3-5-7-11)9-17-15(19)12-8-14(16)20-10-12/h3-8,10,13H,9H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-5-iodothiophene-3-carboxamide?
N-[2-(dimethylamino)-2-phenylethyl]-5-iodothiophene-3-carboxamide has a molecular weight of 400.29 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 78949054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).