2,5-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]thiophene-3-carboxamide

C16H18Cl2N2OS — CID 51251317

IUPAC2,5-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]thiophene-3-carboxamide
SMILESCN(C)C(CNC(=O)c1cc(Cl)sc1Cl)Cc1ccccc1
InChIInChI=1S/C16H18Cl2N2OS/c1-20(2)12(8-11-6-4-3-5-7-11)10-19-16(21)13-9-14(17)22-15(13)18/h3-7,9,12H,8,10H2,1-2H3,(H,19,21)
InChIKeyQAZVMIITZQOPBE-UHFFFAOYSA-N
MW357.31 g/mol
LogP3.96
Rot. Bonds6

About 2,5-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]thiophene-3-carboxamide

2,5-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]thiophene-3-carboxamide (PubChem CID 51251317) has the molecular formula C16H18Cl2N2OS and a molecular weight of 357.31 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]thiophene-3-carboxamide
PubChem CID51251317
Molecular FormulaC16H18Cl2N2OS
Molecular Weight357.31 g/mol
Exact Mass356.05
IUPAC Name2,5-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]thiophene-3-carboxamide
SMILESCN(C)C(CNC(=O)c1cc(Cl)sc1Cl)Cc1ccccc1
InChIInChI=1S/C16H18Cl2N2OS/c1-20(2)12(8-11-6-4-3-5-7-11)10-19-16(21)13-9-14(17)22-15(13)18/h3-7,9,12H,8,10H2,1-2H3,(H,19,21)
InChIKeyQAZVMIITZQOPBE-UHFFFAOYSA-N
XLogP3.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(2-hydroxy-3-phenylpropyl)thiophene-3-carboxamide
CID 111102459
2-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-5-methylsulfanylbenzamide
CID 51150496
2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide
CID 103604584
2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide
CID 86918031
N-[2-(dimethylamino)-3-phenylpropyl]-3-methoxynaphthalene-2-carboxamide
CID 18109898
N-[2-(dimethylamino)-3-phenylpropyl]-2-oxo-1H-pyridine-3-carboxamide
CID 51186413
4-bromo-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-fluorobenzamide
CID 34957506
2-chloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide
CID 51111727
3,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-2-carboxamide
CID 134025831
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-5-nitrosothiophene-2-carboxamide
CID 145230164
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea
CID 78879839
N-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide
CID 42907096

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]thiophene-3-carboxamide (CID 51251317) is 2,5-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]thiophene-3-carboxamide is CN(C)C(CNC(=O)c1cc(Cl)sc1Cl)Cc1ccccc1.
What is the InChIKey of 2,5-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]thiophene-3-carboxamide?
The InChIKey is QAZVMIITZQOPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2OS/c1-20(2)12(8-11-6-4-3-5-7-11)10-19-16(21)13-9-14(17)22-15(13)18/h3-7,9,12H,8,10H2,1-2H3,(H,19,21).
What are the key properties of 2,5-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]thiophene-3-carboxamide?
2,5-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]thiophene-3-carboxamide has a molecular weight of 357.31 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]thiophene-3-carboxamide is sourced from PubChem (CID 51251317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).