N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-iodobenzamide

C15H17IN2OS — CID 8504424

IUPACN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-iodobenzamide
SMILESCN(C)[C@H](CNC(=O)c1cccc(I)c1)c1cccs1
InChIInChI=1S/C15H17IN2OS/c1-18(2)13(14-7-4-8-20-14)10-17-15(19)11-5-3-6-12(16)9-11/h3-9,13H,10H2,1-2H3,(H,17,19)/t13-/m1/s1
InChIKeyUQOCCQYMTBVAPS-CYBMUJFWSA-N
MW400.29 g/mol
LogP3.39
Rot. Bonds5

About N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-iodobenzamide

N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-iodobenzamide (PubChem CID 8504424) has the molecular formula C15H17IN2OS and a molecular weight of 400.29 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-iodobenzamide
PubChem CID8504424
Molecular FormulaC15H17IN2OS
Molecular Weight400.29 g/mol
Exact Mass400.01
IUPAC NameN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-iodobenzamide
SMILESCN(C)[C@H](CNC(=O)c1cccc(I)c1)c1cccs1
InChIInChI=1S/C15H17IN2OS/c1-18(2)13(14-7-4-8-20-14)10-17-15(19)11-5-3-6-12(16)9-11/h3-9,13H,10H2,1-2H3,(H,17,19)/t13-/m1/s1
InChIKeyUQOCCQYMTBVAPS-CYBMUJFWSA-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

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluoro-3-methylbenzamide
CID 63213496
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(methanesulfonamido)benzamide
CID 51647882
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide
CID 9462806
3-(2-amino-2-oxoethoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 134048537
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide
CID 18161860
3-bromo-4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 103841422
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-iodobenzamide
CID 51145107
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4,6-dimethyl-2-pyridinyl)benzamide
CID 125159526
4-benzamido-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 25466127
4-benzamido-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 42942787
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-methylbenzamide
CID 112503925
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide
CID 18161816

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-iodobenzamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-iodobenzamide (CID 8504424) is N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-iodobenzamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-iodobenzamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-iodobenzamide is CN(C)[C@H](CNC(=O)c1cccc(I)c1)c1cccs1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-iodobenzamide?
The InChIKey is UQOCCQYMTBVAPS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17IN2OS/c1-18(2)13(14-7-4-8-20-14)10-17-15(19)11-5-3-6-12(16)9-11/h3-9,13H,10H2,1-2H3,(H,17,19)/t13-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-iodobenzamide?
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-iodobenzamide 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-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-iodobenzamide is sourced from PubChem (CID 8504424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).