methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[(3-methylthiophen-2-yl)methyl]azanium

C16H21N2O3S2+ — CID 8804558

IUPACmethyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[(3-methylthiophen-2-yl)methyl]azanium
SMILESCc1ccsc1C[NH+](C)CC(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C16H20N2O3S2/c1-12-7-8-22-15(12)10-18(2)11-16(19)17-13-5-4-6-14(9-13)23(3,20)21/h4-9H,10-11H2,1-3H3,(H,17,19)/p+1
InChIKeyCNFRLISKSGSTES-UHFFFAOYSA-O
MW353.49 g/mol
LogP1.11
Rot. Bonds6

About methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[(3-methylthiophen-2-yl)methyl]azanium

methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[(3-methylthiophen-2-yl)methyl]azanium (PubChem CID 8804558) has the molecular formula C16H21N2O3S2+ and a molecular weight of 353.49 g/mol. Its IUPAC name is methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[(3-methylthiophen-2-yl)methyl]azanium.

Molecular Properties

Compound Namemethyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[(3-methylthiophen-2-yl)methyl]azanium
PubChem CID8804558
Molecular FormulaC16H21N2O3S2+
Molecular Weight353.49 g/mol
Exact Mass353.10
IUPAC Namemethyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[(3-methylthiophen-2-yl)methyl]azanium
SMILESCc1ccsc1C[NH+](C)CC(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C16H20N2O3S2/c1-12-7-8-22-15(12)10-18(2)11-16(19)17-13-5-4-6-14(9-13)23(3,20)21/h4-9H,10-11H2,1-3H3,(H,17,19)/p+1
InChIKeyCNFRLISKSGSTES-UHFFFAOYSA-O
XLogP1.11
TPSA67.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
CID 9433890
(2,4-dimethylphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8695773
methyl-[(5-methylfuran-2-yl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8810381
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
CID 8804522
furan-2-ylmethyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8621091
methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 8595928
[2-(4-cyanoanilino)-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
CID 9433840
(2,4-dimethoxyphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8845921
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
CID 9434136
2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide
CID 60673121
[2-(3-methylsulfonylanilino)-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium
CID 8926216
N-(3-methylsulfonylphenyl)butanamide
CID 37391541

Frequently Asked Questions

What is the IUPAC name of methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[(3-methylthiophen-2-yl)methyl]azanium?
The IUPAC name of methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[(3-methylthiophen-2-yl)methyl]azanium (CID 8804558) is methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[(3-methylthiophen-2-yl)methyl]azanium.
What is the SMILES notation for methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[(3-methylthiophen-2-yl)methyl]azanium?
The canonical SMILES for methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[(3-methylthiophen-2-yl)methyl]azanium is Cc1ccsc1C[NH+](C)CC(=O)Nc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[(3-methylthiophen-2-yl)methyl]azanium?
The InChIKey is CNFRLISKSGSTES-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H20N2O3S2/c1-12-7-8-22-15(12)10-18(2)11-16(19)17-13-5-4-6-14(9-13)23(3,20)21/h4-9H,10-11H2,1-3H3,(H,17,19)/p+1.
What are the key properties of methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[(3-methylthiophen-2-yl)methyl]azanium?
methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[(3-methylthiophen-2-yl)methyl]azanium has a molecular weight of 353.49 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[(3-methylthiophen-2-yl)methyl]azanium is sourced from PubChem (CID 8804558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).