5-[[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]methyl]thiophene-3-carboxamide

C14H14Cl2N2OS — CID 96526651

IUPAC5-[[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]methyl]thiophene-3-carboxamide
SMILESC[C@@H](NCc1cc(C(N)=O)cs1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2OS/c1-8(9-2-3-12(15)13(16)5-9)18-6-11-4-10(7-20-11)14(17)19/h2-5,7-8,18H,6H2,1H3,(H2,17,19)/t8-/m1/s1
InChIKeyDKWCMJGEGLGWDF-MRVPVSSYSA-N
MW329.25 g/mol
LogP4.00
Rot. Bonds5

About 5-[[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]methyl]thiophene-3-carboxamide

5-[[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]methyl]thiophene-3-carboxamide (PubChem CID 96526651) has the molecular formula C14H14Cl2N2OS and a molecular weight of 329.25 g/mol. Its IUPAC name is 5-[[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]methyl]thiophene-3-carboxamide
PubChem CID96526651
Molecular FormulaC14H14Cl2N2OS
Molecular Weight329.25 g/mol
Exact Mass328.02
IUPAC Name5-[[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]methyl]thiophene-3-carboxamide
SMILESC[C@@H](NCc1cc(C(N)=O)cs1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2OS/c1-8(9-2-3-12(15)13(16)5-9)18-6-11-4-10(7-20-11)14(17)19/h2-5,7-8,18H,6H2,1H3,(H2,17,19)/t8-/m1/s1
InChIKeyDKWCMJGEGLGWDF-MRVPVSSYSA-N
XLogP4.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[1-(4-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613364
5-[(1-phenylethylamino)methyl]thiophene-3-carboxamide
CID 79605581
5-[[1-(3-hydroxyphenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79614281
5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]thiophene-3-carboxamide
CID 81360413
N-[(4-chlorothiophen-2-yl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 79419866
5-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79611660
methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate
CID 79613507
5-[[1-(2-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79614684
5-[[1-(2,4-dimethylphenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613858
5-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613995
5-[[1-(2,5-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613665
5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide
CID 79605956

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]methyl]thiophene-3-carboxamide (CID 96526651) is 5-[[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]methyl]thiophene-3-carboxamide is C[C@@H](NCc1cc(C(N)=O)cs1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-[[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]methyl]thiophene-3-carboxamide?
The InChIKey is DKWCMJGEGLGWDF-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H14Cl2N2OS/c1-8(9-2-3-12(15)13(16)5-9)18-6-11-4-10(7-20-11)14(17)19/h2-5,7-8,18H,6H2,1H3,(H2,17,19)/t8-/m1/s1.
What are the key properties of 5-[[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]methyl]thiophene-3-carboxamide?
5-[[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]methyl]thiophene-3-carboxamide has a molecular weight of 329.25 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 96526651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).