[2-(3-chloroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium

C14H16ClN2OS+ — CID 8965577

IUPAC[2-(3-chloroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
SMILESC[NH+](CC(=O)Nc1cccc(Cl)c1)Cc1cccs1
InChIInChI=1S/C14H15ClN2OS/c1-17(9-13-6-3-7-19-13)10-14(18)16-12-5-2-4-11(15)8-12/h2-8H,9-10H2,1H3,(H,16,18)/p+1
InChIKeyFTXFSOPTPLERPK-UHFFFAOYSA-O
MW295.82 g/mol
LogP2.05
Rot. Bonds5

About [2-(3-chloroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium

[2-(3-chloroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium (PubChem CID 8965577) has the molecular formula C14H16ClN2OS+ and a molecular weight of 295.82 g/mol. Its IUPAC name is [2-(3-chloroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-(3-chloroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
PubChem CID8965577
Molecular FormulaC14H16ClN2OS+
Molecular Weight295.82 g/mol
Exact Mass295.07
IUPAC Name[2-(3-chloroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
SMILESC[NH+](CC(=O)Nc1cccc(Cl)c1)Cc1cccs1
InChIInChI=1S/C14H15ClN2OS/c1-17(9-13-6-3-7-19-13)10-14(18)16-12-5-2-4-11(15)8-12/h2-8H,9-10H2,1H3,(H,16,18)/p+1
InChIKeyFTXFSOPTPLERPK-UHFFFAOYSA-O
XLogP2.05
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-methoxyanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965326
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965954
[2-(3-chloroanilino)-2-oxoethyl]-[(3-chlorophenyl)methyl]-methylazanium
CID 9251257
[2-(4-chloro-2-nitroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965814
N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 4820268
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8964695
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8769698
[2-(3-chloroanilino)-2-oxoethyl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylazanium
CID 8550222
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965586
[2-(2,5-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965622
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8966062
[2-(2-bromoanilino)-2-oxoethyl]-[2-(3-chloroanilino)-2-oxoethyl]-methylazanium
CID 9252675

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [2-(3-chloroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium (CID 8965577) is [2-(3-chloroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [2-(3-chloroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [2-(3-chloroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium is C[NH+](CC(=O)Nc1cccc(Cl)c1)Cc1cccs1.
What is the InChIKey of [2-(3-chloroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium?
The InChIKey is FTXFSOPTPLERPK-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H15ClN2OS/c1-17(9-13-6-3-7-19-13)10-14(18)16-12-5-2-4-11(15)8-12/h2-8H,9-10H2,1H3,(H,16,18)/p+1.
What are the key properties of [2-(3-chloroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium?
[2-(3-chloroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium has a molecular weight of 295.82 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8965577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).