3-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-sulfamoylphenyl)propanamide

C22H29N5O5S — CID 55362471

IUPAC3-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-sulfamoylphenyl)propanamide
SMILESCN(CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H29N5O5S/c1-26(11-10-21(28)24-18-4-8-20(9-5-18)33(23,30)31)16-22(29)25-17-2-6-19(7-3-17)27-12-14-32-15-13-27/h2-9H,10-16H2,1H3,(H,24,28)(H,25,29)(H2,23,30,31)
InChIKeyJKZFTDVKWUBWSZ-UHFFFAOYSA-N
MW475.57 g/mol
LogP1.07
Rot. Bonds9

About 3-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-sulfamoylphenyl)propanamide

3-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-sulfamoylphenyl)propanamide (PubChem CID 55362471) has the molecular formula C22H29N5O5S and a molecular weight of 475.57 g/mol. Its IUPAC name is 3-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-sulfamoylphenyl)propanamide
PubChem CID55362471
Molecular FormulaC22H29N5O5S
Molecular Weight475.57 g/mol
Exact Mass475.19
IUPAC Name3-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-sulfamoylphenyl)propanamide
SMILESCN(CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H29N5O5S/c1-26(11-10-21(28)24-18-4-8-20(9-5-18)33(23,30)31)16-22(29)25-17-2-6-19(7-3-17)27-12-14-32-15-13-27/h2-9H,10-16H2,1H3,(H,24,28)(H,25,29)(H2,23,30,31)
InChIKeyJKZFTDVKWUBWSZ-UHFFFAOYSA-N
XLogP1.07
TPSA134.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464279
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 8592798
3-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 55481956
3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 56526675
3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 55482537
2-[methyl-[2-(4-nitroanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55354340
2-[methyl-[2-(4-methylsulfanylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464363
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8592818
2-[[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55354482
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 24681289
3-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 61252883

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 3-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-sulfamoylphenyl)propanamide (CID 55362471) is 3-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-sulfamoylphenyl)propanamide is CN(CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is JKZFTDVKWUBWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O5S/c1-26(11-10-21(28)24-18-4-8-20(9-5-18)33(23,30)31)16-22(29)25-17-2-6-19(7-3-17)27-12-14-32-15-13-27/h2-9H,10-16H2,1H3,(H,24,28)(H,25,29)(H2,23,30,31).
What are the key properties of 3-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-sulfamoylphenyl)propanamide?
3-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 475.57 g/mol, XLogP of 1.07, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 55362471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).