[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium

C15H17Cl2N2OS+ — CID 8516814

IUPAC[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium
SMILESC[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[NH+](C)Cc1cccs1
InChIInChI=1S/C15H16Cl2N2OS/c1-10(19(2)9-14-4-3-5-21-14)15(20)18-13-7-11(16)6-12(17)8-13/h3-8,10H,9H2,1-2H3,(H,18,20)/p+1/t10-/m1/s1
InChIKeyLEFICBJWUGBYMK-SNVBAGLBSA-O
MW344.29 g/mol
LogP3.10
Rot. Bonds5

About [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium

[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium (PubChem CID 8516814) has the molecular formula C15H17Cl2N2OS+ and a molecular weight of 344.29 g/mol. Its IUPAC name is [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium
PubChem CID8516814
Molecular FormulaC15H17Cl2N2OS+
Molecular Weight344.29 g/mol
Exact Mass343.04
IUPAC Name[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium
SMILESC[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[NH+](C)Cc1cccs1
InChIInChI=1S/C15H16Cl2N2OS/c1-10(19(2)9-14-4-3-5-21-14)15(20)18-13-7-11(16)6-12(17)8-13/h3-8,10H,9H2,1-2H3,(H,18,20)/p+1/t10-/m1/s1
InChIKeyLEFICBJWUGBYMK-SNVBAGLBSA-O
XLogP3.10
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516879
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516885
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8769698
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516915
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718441
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8712160
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8712162
[(2S)-1-anilino-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718586
[2-(3-chloroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965577
methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium
CID 8516839
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-[(3-chlorophenyl)methyl]-methylazanium
CID 9251362
(2S)-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dichlorophenyl)propanamide
CID 25445578

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium (CID 8516814) is [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium is C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[NH+](C)Cc1cccs1.
What is the InChIKey of [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium?
The InChIKey is LEFICBJWUGBYMK-SNVBAGLBSA-O. The full InChI is InChI=1S/C15H16Cl2N2OS/c1-10(19(2)9-14-4-3-5-21-14)15(20)18-13-7-11(16)6-12(17)8-13/h3-8,10H,9H2,1-2H3,(H,18,20)/p+1/t10-/m1/s1.
What are the key properties of [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium?
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium has a molecular weight of 344.29 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8516814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).