2-(2-methyl-4-morpholin-4-ylanilino)-N-(3-sulfamoylphenyl)propanamide

C20H26N4O4S — CID 55629768

IUPAC2-(2-methyl-4-morpholin-4-ylanilino)-N-(3-sulfamoylphenyl)propanamide
SMILESCc1cc(N2CCOCC2)ccc1NC(C)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C20H26N4O4S/c1-14-12-17(24-8-10-28-11-9-24)6-7-19(14)22-15(2)20(25)23-16-4-3-5-18(13-16)29(21,26)27/h3-7,12-13,15,22H,8-11H2,1-2H3,(H,23,25)(H2,21,26,27)
InChIKeyQJJCBBITOFKDEN-UHFFFAOYSA-N
MW418.52 g/mol
LogP1.92
Rot. Bonds6

About 2-(2-methyl-4-morpholin-4-ylanilino)-N-(3-sulfamoylphenyl)propanamide

2-(2-methyl-4-morpholin-4-ylanilino)-N-(3-sulfamoylphenyl)propanamide (PubChem CID 55629768) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-(2-methyl-4-morpholin-4-ylanilino)-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-(2-methyl-4-morpholin-4-ylanilino)-N-(3-sulfamoylphenyl)propanamide
PubChem CID55629768
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Name2-(2-methyl-4-morpholin-4-ylanilino)-N-(3-sulfamoylphenyl)propanamide
SMILESCc1cc(N2CCOCC2)ccc1NC(C)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C20H26N4O4S/c1-14-12-17(24-8-10-28-11-9-24)6-7-19(14)22-15(2)20(25)23-16-4-3-5-18(13-16)29(21,26)27/h3-7,12-13,15,22H,8-11H2,1-2H3,(H,23,25)(H2,21,26,27)
InChIKeyQJJCBBITOFKDEN-UHFFFAOYSA-N
XLogP1.92
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2,5-dimethylanilino)-N-(3-sulfamoylphenyl)propanamide
CID 41024071
(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-1-morpholin-4-ylpropan-1-one
CID 94114537
ethyl (2S)-2-(2-methyl-4-morpholin-4-ylanilino)propanoate
CID 141056523
(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 34499731
(2R)-N-(2-chloro-3-pyridinyl)-2-(2-methyl-4-morpholin-4-ylanilino)propanamide
CID 94114535
(2S)-2-(4-phenylpiperazin-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 9250166
(2S)-2-(2-methoxy-5-methylanilino)-N-(3-sulfamoylphenyl)propanamide
CID 25355632
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 119262356
(2R)-N-(1,3-benzodioxol-5-yl)-2-(3-morpholin-4-ylanilino)propanamide
CID 94643859
(2R)-2-(azepan-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 41023511
1-(4-piperidin-1-ylphenyl)-3-(3-sulfamoylphenyl)urea
CID 71896243
(2S)-2-pyrrolidin-1-ium-1-yl-N-(3-sulfamoylphenyl)propanamide
CID 9274937

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-morpholin-4-ylanilino)-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of 2-(2-methyl-4-morpholin-4-ylanilino)-N-(3-sulfamoylphenyl)propanamide (CID 55629768) is 2-(2-methyl-4-morpholin-4-ylanilino)-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-(2-methyl-4-morpholin-4-ylanilino)-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-(2-methyl-4-morpholin-4-ylanilino)-N-(3-sulfamoylphenyl)propanamide is Cc1cc(N2CCOCC2)ccc1NC(C)C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-(2-methyl-4-morpholin-4-ylanilino)-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is QJJCBBITOFKDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-14-12-17(24-8-10-28-11-9-24)6-7-19(14)22-15(2)20(25)23-16-4-3-5-18(13-16)29(21,26)27/h3-7,12-13,15,22H,8-11H2,1-2H3,(H,23,25)(H2,21,26,27).
What are the key properties of 2-(2-methyl-4-morpholin-4-ylanilino)-N-(3-sulfamoylphenyl)propanamide?
2-(2-methyl-4-morpholin-4-ylanilino)-N-(3-sulfamoylphenyl)propanamide has a molecular weight of 418.52 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-morpholin-4-ylanilino)-N-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 55629768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).