2-[[2-[benzyl(methyl)amino]acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide

C20H25N3O2S — CID 51223505

IUPAC2-[[2-[benzyl(methyl)amino]acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)CN(C)Cc1ccccc1
InChIInChI=1S/C20H25N3O2S/c1-22(13-16-9-5-4-6-10-16)15-20(25)23(2)14-19(24)21-17-11-7-8-12-18(17)26-3/h4-12H,13-15H2,1-3H3,(H,21,24)
InChIKeyDGYPFLWSPVFDDT-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.94
Rot. Bonds8

About 2-[[2-[benzyl(methyl)amino]acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide

2-[[2-[benzyl(methyl)amino]acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 51223505) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-[[2-[benzyl(methyl)amino]acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[benzyl(methyl)amino]acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID51223505
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name2-[[2-[benzyl(methyl)amino]acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)CN(C)Cc1ccccc1
InChIInChI=1S/C20H25N3O2S/c1-22(13-16-9-5-4-6-10-16)15-20(25)23(2)14-19(24)21-17-11-7-8-12-18(17)26-3/h4-12H,13-15H2,1-3H3,(H,21,24)
InChIKeyDGYPFLWSPVFDDT-UHFFFAOYSA-N
XLogP2.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 2698816
(3S)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-phenylbutanamide
CID 38762946
2-(3-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
CID 38763351
N-(2-chlorophenyl)-2-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-methylamino]acetamide
CID 27095557
N-methyl-3-(4-methylphenyl)-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 38768176
N-(2-chlorophenyl)-2-[[2-[(3-fluorophenyl)methyl-methylamino]acetyl]-methylamino]acetamide
CID 25479489
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-phenoxybutanamide
CID 38764417
N-[3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 9417092
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 27222681
N-(2-aminophenyl)-2-[benzyl(methyl)amino]acetamide
CID 21483014
N-(2-fluorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide;oxalic acid
CID 15945240
N-(2-chlorophenyl)-2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]-methylamino]acetamide
CID 27096760

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[benzyl(methyl)amino]acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[[2-[benzyl(methyl)amino]acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide (CID 51223505) is 2-[[2-[benzyl(methyl)amino]acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[benzyl(methyl)amino]acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[[2-[benzyl(methyl)amino]acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CN(C)C(=O)CN(C)Cc1ccccc1.
What is the InChIKey of 2-[[2-[benzyl(methyl)amino]acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is DGYPFLWSPVFDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-22(13-16-9-5-4-6-10-16)15-20(25)23(2)14-19(24)21-17-11-7-8-12-18(17)26-3/h4-12H,13-15H2,1-3H3,(H,21,24).
What are the key properties of 2-[[2-[benzyl(methyl)amino]acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
2-[[2-[benzyl(methyl)amino]acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 371.51 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[benzyl(methyl)amino]acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 51223505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).