[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium

C16H19Cl2N2OS+ — CID 9433876

IUPAC[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
SMILESCc1ccsc1C[NH+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N2OS/c1-10-6-7-22-15(10)9-20(3)11(2)16(21)19-14-5-4-12(17)8-13(14)18/h4-8,11H,9H2,1-3H3,(H,19,21)/p+1/t11-/m1/s1
InChIKeyZXRIHUNNDDPYCM-LLVKDONJSA-O
MW358.31 g/mol
LogP3.41
Rot. Bonds5

About [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium

[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium (PubChem CID 9433876) has the molecular formula C16H19Cl2N2OS+ and a molecular weight of 358.31 g/mol. Its IUPAC name is [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium.

Molecular Properties

Compound Name[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
PubChem CID9433876
Molecular FormulaC16H19Cl2N2OS+
Molecular Weight358.31 g/mol
Exact Mass357.06
IUPAC Name[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
SMILESCc1ccsc1C[NH+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N2OS/c1-10-6-7-22-15(10)9-20(3)11(2)16(21)19-14-5-4-12(17)8-13(14)18/h4-8,11H,9H2,1-3H3,(H,19,21)/p+1/t11-/m1/s1
InChIKeyZXRIHUNNDDPYCM-LLVKDONJSA-O
XLogP3.41
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium with MolForge

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Related Compounds

methyl-[(3-methylthiophen-2-yl)methyl]-[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]azanium
CID 9265037
methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
CID 9434038
[(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
CID 9434088
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(3-fluorophenyl)methyl]-methylazanium
CID 8516079
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 7835026
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium
CID 2689916
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
CID 8517835
1-(2-chloro-4-fluorophenyl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 47032127
[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 9494909
(2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide
CID 884870
cyclopropyl-[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium
CID 8905162
[2-(2-chloroanilino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium
CID 2689165

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium?
The IUPAC name of [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium (CID 9433876) is [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium.
What is the SMILES notation for [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium?
The canonical SMILES for [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium is Cc1ccsc1C[NH+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium?
The InChIKey is ZXRIHUNNDDPYCM-LLVKDONJSA-O. The full InChI is InChI=1S/C16H18Cl2N2OS/c1-10-6-7-22-15(10)9-20(3)11(2)16(21)19-14-5-4-12(17)8-13(14)18/h4-8,11H,9H2,1-3H3,(H,19,21)/p+1/t11-/m1/s1.
What are the key properties of [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium?
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium has a molecular weight of 358.31 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium is sourced from PubChem (CID 9433876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).