cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium

C19H24N3O4S+ — CID 8770207

IUPACcyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
SMILESCOc1ccc(C[NH+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)C2CC2)cc1
InChIInChI=1S/C19H23N3O4S/c1-26-17-9-5-14(6-10-17)12-22(16-7-8-16)13-19(23)21-15-3-2-4-18(11-15)27(20,24)25/h2-6,9-11,16H,7-8,12-13H2,1H3,(H,21,23)(H2,20,24,25)/p+1
InChIKeyUMZXCGICBUXDFJ-UHFFFAOYSA-O
MW390.49 g/mol
LogP0.53
Rot. Bonds8

About cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium

cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium (PubChem CID 8770207) has the molecular formula C19H24N3O4S+ and a molecular weight of 390.49 g/mol. Its IUPAC name is cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
PubChem CID8770207
Molecular FormulaC19H24N3O4S+
Molecular Weight390.49 g/mol
Exact Mass390.15
IUPAC Namecyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
SMILESCOc1ccc(C[NH+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)C2CC2)cc1
InChIInChI=1S/C19H23N3O4S/c1-26-17-9-5-14(6-10-17)12-22(16-7-8-16)13-19(23)21-15-3-2-4-18(11-15)27(20,24)25/h2-6,9-11,16H,7-8,12-13H2,1H3,(H,21,23)(H2,20,24,25)/p+1
InChIKeyUMZXCGICBUXDFJ-UHFFFAOYSA-O
XLogP0.53
TPSA102.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[(4-fluorophenyl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8906848
(4-bromophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 9040443
2-(4-methoxyphenyl)-N-[3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide
CID 5077969
1-[(4-methoxyphenyl)methyl]-3-(3-sulfamoylphenyl)thiourea
CID 8620377
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-sulfamoylphenyl)acetamide
CID 27652228
cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 8770300
[2-(3-acetylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8872509
[2-(3-ethylanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8778311
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 8805412
(E)-3-(6-methoxynaphthalen-2-yl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 34752671
N-(3-sulfamoylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9413193
2-cyclopentyl-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 9414196

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium?
The IUPAC name of cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium (CID 8770207) is cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium.
What is the SMILES notation for cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium?
The canonical SMILES for cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium is COc1ccc(C[NH+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)C2CC2)cc1.
What is the InChIKey of cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium?
The InChIKey is UMZXCGICBUXDFJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23N3O4S/c1-26-17-9-5-14(6-10-17)12-22(16-7-8-16)13-19(23)21-15-3-2-4-18(11-15)27(20,24)25/h2-6,9-11,16H,7-8,12-13H2,1H3,(H,21,23)(H2,20,24,25)/p+1.
What are the key properties of cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium?
cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium has a molecular weight of 390.49 g/mol, XLogP of 0.53, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium is sourced from PubChem (CID 8770207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).