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

C15H18ClN2OS+ — CID 8965954

IUPAC[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
SMILESC[NH+](CC(=O)NCc1cccc(Cl)c1)Cc1cccs1
InChIInChI=1S/C15H17ClN2OS/c1-18(10-14-6-3-7-20-14)11-15(19)17-9-12-4-2-5-13(16)8-12/h2-8H,9-11H2,1H3,(H,17,19)/p+1
InChIKeyNBGCGDOEIAITIM-UHFFFAOYSA-O
MW309.84 g/mol
LogP1.73
Rot. Bonds6

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

[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium (PubChem CID 8965954) has the molecular formula C15H18ClN2OS+ and a molecular weight of 309.84 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
PubChem CID8965954
Molecular FormulaC15H18ClN2OS+
Molecular Weight309.84 g/mol
Exact Mass309.08
IUPAC Name[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
SMILESC[NH+](CC(=O)NCc1cccc(Cl)c1)Cc1cccs1
InChIInChI=1S/C15H17ClN2OS/c1-18(10-14-6-3-7-20-14)11-15(19)17-9-12-4-2-5-13(16)8-12/h2-8H,9-11H2,1H3,(H,17,19)/p+1
InChIKeyNBGCGDOEIAITIM-UHFFFAOYSA-O
XLogP1.73
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-chloroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965577
(2-chloro-6-fluorophenyl)methyl-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9197396
3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 47129005
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide
CID 2801025
[2-(4-chloro-2-nitroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965814
N-[(3-chlorophenyl)methyl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51244560
[2-(2,5-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965622
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8964695
[2-(3-chloroanilino)-2-oxoethyl]-[(3-chlorophenyl)methyl]-methylazanium
CID 9251257
N-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753115
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium (CID 8965954) is [2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium is C[NH+](CC(=O)NCc1cccc(Cl)c1)Cc1cccs1.
What is the InChIKey of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium?
The InChIKey is NBGCGDOEIAITIM-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17ClN2OS/c1-18(10-14-6-3-7-20-14)11-15(19)17-9-12-4-2-5-13(16)8-12/h2-8H,9-11H2,1H3,(H,17,19)/p+1.
What are the key properties of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium?
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium has a molecular weight of 309.84 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8965954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).