2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

C20H32N4O3S — CID 8814731

IUPAC2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)CC(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C20H32N4O3S/c1-20(2,24-9-11-27-12-10-24)15-21-18(25)13-23(3)14-19(26)22-16-7-5-6-8-17(16)28-4/h5-8H,9-15H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyOBJAOLQQPGKARI-UHFFFAOYSA-N
MW408.57 g/mol
LogP1.51
Rot. Bonds9

About 2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (PubChem CID 8814731) has the molecular formula C20H32N4O3S and a molecular weight of 408.57 g/mol. Its IUPAC name is 2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
PubChem CID8814731
Molecular FormulaC20H32N4O3S
Molecular Weight408.57 g/mol
Exact Mass408.22
IUPAC Name2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)CC(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C20H32N4O3S/c1-20(2,24-9-11-27-12-10-24)15-21-18(25)13-23(3)14-19(26)22-16-7-5-6-8-17(16)28-4/h5-8H,9-15H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyOBJAOLQQPGKARI-UHFFFAOYSA-N
XLogP1.51
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-2-morpholin-4-ylpropyl)-2-(2-methylphenyl)sulfanylacetamide
CID 51163397
2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9105085
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-(2-methoxyethyl)amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 24534478
2-(2-chloroanilino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 51252333
3-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 110024325
ethyl 4-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]piperazine-1-carboxylate
CID 9166348
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 51544470
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9049169
N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 4801976
2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 38211944
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 9166245
2-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 86906760

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (CID 8814731) is 2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is CSc1ccccc1NC(=O)CN(C)CC(=O)NCC(C)(C)N1CCOCC1.
What is the InChIKey of 2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The InChIKey is OBJAOLQQPGKARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3S/c1-20(2,24-9-11-27-12-10-24)15-21-18(25)13-23(3)14-19(26)22-16-7-5-6-8-17(16)28-4/h5-8H,9-15H2,1-4H3,(H,21,25)(H,22,26).
What are the key properties of 2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide has a molecular weight of 408.57 g/mol, XLogP of 1.51, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 8814731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).