2-[methyl-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-N-(2-methylsulfanylphenyl)acetamide

C19H31N3O2S — CID 9039890

IUPAC2-[methyl-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)C[C@H]1CN(CC(C)C)CCO1
InChIInChI=1S/C19H31N3O2S/c1-15(2)11-22-9-10-24-16(13-22)12-21(3)14-19(23)20-17-7-5-6-8-18(17)25-4/h5-8,15-16H,9-14H2,1-4H3,(H,20,23)/t16-/m0/s1
InChIKeyQGHQMJRPLPAVDH-INIZCTEOSA-N
MW365.54 g/mol
LogP2.64
Rot. Bonds8

About 2-[methyl-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-N-(2-methylsulfanylphenyl)acetamide

2-[methyl-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 9039890) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is 2-[methyl-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID9039890
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC Name2-[methyl-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)C[C@H]1CN(CC(C)C)CCO1
InChIInChI=1S/C19H31N3O2S/c1-15(2)11-22-9-10-24-16(13-22)12-21(3)14-19(23)20-17-7-5-6-8-18(17)25-4/h5-8,15-16H,9-14H2,1-4H3,(H,20,23)/t16-/m0/s1
InChIKeyQGHQMJRPLPAVDH-INIZCTEOSA-N
XLogP2.64
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[methyl-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-N-(2-methylsulfanylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chlorophenyl)-2-[methyl-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]amino]acetamide
CID 9041318
2-[methyl-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9043863
2-[methyl-[[4-(3-methyl-2-phenylbutyl)morpholin-2-yl]methyl]amino]acetic acid
CID 122043673
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9049169
2-[methyl-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]amino]acetic acid
CID 119905834
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide
CID 78812434
2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 8814731
2-[benzenesulfonyl(methyl)amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55622876
N,N-dimethyl-1-[4-(2-methylpropyl)morpholin-2-yl]methanamine
CID 123749859
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
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 4806218

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[methyl-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-N-(2-methylsulfanylphenyl)acetamide (CID 9039890) is 2-[methyl-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CN(C)C[C@H]1CN(CC(C)C)CCO1.
What is the InChIKey of 2-[methyl-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is QGHQMJRPLPAVDH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H31N3O2S/c1-15(2)11-22-9-10-24-16(13-22)12-21(3)14-19(23)20-17-7-5-6-8-18(17)25-4/h5-8,15-16H,9-14H2,1-4H3,(H,20,23)/t16-/m0/s1.
What are the key properties of 2-[methyl-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
2-[methyl-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 365.54 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 9039890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).