(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium

C18H24N3O4S+ — CID 8805412

IUPAC(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
SMILESCOc1ccc(C)cc1C[NH+](C)CC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C18H23N3O4S/c1-13-7-8-17(25-3)14(9-13)11-21(2)12-18(22)20-15-5-4-6-16(10-15)26(19,23)24/h4-10H,11-12H2,1-3H3,(H,20,22)(H2,19,23,24)/p+1
InChIKeyQUSKVGAAIRHKKH-UHFFFAOYSA-O
MW378.47 g/mol
LogP0.30
Rot. Bonds7

About (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium

(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium (PubChem CID 8805412) has the molecular formula C18H24N3O4S+ and a molecular weight of 378.47 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
PubChem CID8805412
Molecular FormulaC18H24N3O4S+
Molecular Weight378.47 g/mol
Exact Mass378.15
IUPAC Name(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
SMILESCOc1ccc(C)cc1C[NH+](C)CC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C18H23N3O4S/c1-13-7-8-17(25-3)14(9-13)11-21(2)12-18(22)20-15-5-4-6-16(10-15)26(19,23)24/h4-10H,11-12H2,1-3H3,(H,20,22)(H2,19,23,24)/p+1
InChIKeyQUSKVGAAIRHKKH-UHFFFAOYSA-O
XLogP0.30
TPSA102.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 9040057
[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805336
(2,4-dichlorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 9197024
(2,4-dimethylphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8695773
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 8641842
(2,4-dimethoxyphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8845921
(4-bromophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 9040443
[2-(2,4-dimethoxyanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805430
(5-chloro-2-methoxyphenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8556790
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]azanium
CID 8805826
2-(2-methoxy-5-methylphenyl)-N-(3-methylphenyl)acetamide
CID 9039136
(2-chloro-6-fluorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 9197414

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium?
The IUPAC name of (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium (CID 8805412) is (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium.
What is the SMILES notation for (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium?
The canonical SMILES for (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium is COc1ccc(C)cc1C[NH+](C)CC(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium?
The InChIKey is QUSKVGAAIRHKKH-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23N3O4S/c1-13-7-8-17(25-3)14(9-13)11-21(2)12-18(22)20-15-5-4-6-16(10-15)26(19,23)24/h4-10H,11-12H2,1-3H3,(H,20,22)(H2,19,23,24)/p+1.
What are the key properties of (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium?
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium has a molecular weight of 378.47 g/mol, XLogP of 0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium is sourced from PubChem (CID 8805412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).