(2R)-N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide

C15H16Cl2N2OS — CID 8516902

IUPAC(2R)-N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
SMILESC[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N(C)Cc1cccs1
InChIInChI=1S/C15H16Cl2N2OS/c1-10(19(2)9-12-4-3-7-21-12)15(20)18-14-8-11(16)5-6-13(14)17/h3-8,10H,9H2,1-2H3,(H,18,20)/t10-/m1/s1
InChIKeyACRQFJIPWJLSIL-SNVBAGLBSA-N
MW343.28 g/mol
LogP4.51
Rot. Bonds5

About (2R)-N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide

(2R)-N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide (PubChem CID 8516902) has the molecular formula C15H16Cl2N2OS and a molecular weight of 343.28 g/mol. Its IUPAC name is (2R)-N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
PubChem CID8516902
Molecular FormulaC15H16Cl2N2OS
Molecular Weight343.28 g/mol
Exact Mass342.04
IUPAC Name(2R)-N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
SMILESC[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N(C)Cc1cccs1
InChIInChI=1S/C15H16Cl2N2OS/c1-10(19(2)9-12-4-3-7-21-12)15(20)18-14-8-11(16)5-6-13(14)17/h3-8,10H,9H2,1-2H3,(H,18,20)/t10-/m1/s1
InChIKeyACRQFJIPWJLSIL-SNVBAGLBSA-N
XLogP4.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 43527265
N-(5-amino-2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 43527250
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718441
N-(2,5-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 75439020
(2S)-N-(2,5-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 97332404
(2R)-N-(2,5-dichlorophenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]propanamide
CID 8720728
(2S)-2-[methyl(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)propanamide
CID 8516996
(2R)-N-(2,5-dichlorophenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]propanamide
CID 2689350
(2R)-N-(2,4-dichlorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 9334007
N-(2,5-dichlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
CID 42911629
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 8517017
(2S)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2,4,5-trichlorophenyl)propanamide
CID 2498448

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide?
The IUPAC name of (2R)-N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide (CID 8516902) is (2R)-N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide.
What is the SMILES notation for (2R)-N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide?
The canonical SMILES for (2R)-N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide is C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N(C)Cc1cccs1.
What is the InChIKey of (2R)-N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide?
The InChIKey is ACRQFJIPWJLSIL-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16Cl2N2OS/c1-10(19(2)9-12-4-3-7-21-12)15(20)18-14-8-11(16)5-6-13(14)17/h3-8,10H,9H2,1-2H3,(H,18,20)/t10-/m1/s1.
What are the key properties of (2R)-N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide?
(2R)-N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide has a molecular weight of 343.28 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 8516902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).