(5-chlorothiophen-2-yl)methyl-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium

C16H20ClN2OS+ — CID 9294261

IUPAC(5-chlorothiophen-2-yl)methyl-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium
SMILESCc1ccc(NC(=O)C[NH+](C)Cc2ccc(Cl)s2)c(C)c1
InChIInChI=1S/C16H19ClN2OS/c1-11-4-6-14(12(2)8-11)18-16(20)10-19(3)9-13-5-7-15(17)21-13/h4-8H,9-10H2,1-3H3,(H,18,20)/p+1
InChIKeyBGQFJGTWCBXIBN-UHFFFAOYSA-O
MW323.87 g/mol
LogP2.67
Rot. Bonds5

About (5-chlorothiophen-2-yl)methyl-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium

(5-chlorothiophen-2-yl)methyl-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium (PubChem CID 9294261) has the molecular formula C16H20ClN2OS+ and a molecular weight of 323.87 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)methyl-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)methyl-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium
PubChem CID9294261
Molecular FormulaC16H20ClN2OS+
Molecular Weight323.87 g/mol
Exact Mass323.10
IUPAC Name(5-chlorothiophen-2-yl)methyl-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium
SMILESCc1ccc(NC(=O)C[NH+](C)Cc2ccc(Cl)s2)c(C)c1
InChIInChI=1S/C16H19ClN2OS/c1-11-4-6-14(12(2)8-11)18-16(20)10-19(3)9-13-5-7-15(17)21-13/h4-8H,9-10H2,1-3H3,(H,18,20)/p+1
InChIKeyBGQFJGTWCBXIBN-UHFFFAOYSA-O
XLogP2.67
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chlorothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium
CID 9294082
[2-(2,4-dimethylanilino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9264991
[2-(2-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9339154
[2-(diethylamino)-2-oxoethyl]-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8692228
[2-(2,5-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965622
benzyl-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-methylazanium
CID 2412166
(5-chlorothiophen-2-yl)methyl-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methylazanium
CID 8787097
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035345
[2-(1-adamantylmethylamino)-2-oxoethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium
CID 9293505
1,3-benzothiazol-2-ylmethyl-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methylazanium
CID 8802121
[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9025268
(5-chlorothiophen-2-yl)methyl-methyl-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azanium
CID 9037935

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)methyl-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of (5-chlorothiophen-2-yl)methyl-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium (CID 9294261) is (5-chlorothiophen-2-yl)methyl-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (5-chlorothiophen-2-yl)methyl-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (5-chlorothiophen-2-yl)methyl-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium is Cc1ccc(NC(=O)C[NH+](C)Cc2ccc(Cl)s2)c(C)c1.
What is the InChIKey of (5-chlorothiophen-2-yl)methyl-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is BGQFJGTWCBXIBN-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H19ClN2OS/c1-11-4-6-14(12(2)8-11)18-16(20)10-19(3)9-13-5-7-15(17)21-13/h4-8H,9-10H2,1-3H3,(H,18,20)/p+1.
What are the key properties of (5-chlorothiophen-2-yl)methyl-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium?
(5-chlorothiophen-2-yl)methyl-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 323.87 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)methyl-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9294261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).