2-[(1,1-dioxothian-4-yl)-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide

C22H28N2O3S — CID 95786005

IUPAC2-[(1,1-dioxothian-4-yl)-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide
SMILESCN(CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C22H28N2O3S/c1-24(20-12-14-28(26,27)15-13-20)17-22(25)23-21(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-11,20-21H,12-17H2,1H3,(H,23,25)/t21-/m1/s1
InChIKeyBJHKUTASXFAQFD-OAQYLSRUSA-N
MW400.54 g/mol
LogP2.60
Rot. Bonds7

About 2-[(1,1-dioxothian-4-yl)-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide

2-[(1,1-dioxothian-4-yl)-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide (PubChem CID 95786005) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 2-[(1,1-dioxothian-4-yl)-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxothian-4-yl)-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide
PubChem CID95786005
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name2-[(1,1-dioxothian-4-yl)-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide
SMILESCN(CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C22H28N2O3S/c1-24(20-12-14-28(26,27)15-13-20)17-22(25)23-21(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-11,20-21H,12-17H2,1H3,(H,23,25)/t21-/m1/s1
InChIKeyBJHKUTASXFAQFD-OAQYLSRUSA-N
XLogP2.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)-prop-2-ynylamino]-N-(1,2-diphenylethyl)acetamide
CID 56541083
N-(1,2-diphenylethyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110880802
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide
CID 8768418
2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 124737319
2-[cyclohexyl(methyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 8004439
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide
CID 41097241
2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 55381874
N-(1,2-diphenylethyl)pentanamide
CID 134014505
2-[(1S)-cyclopent-2-en-1-yl]-N-[(1R)-1,2-diphenylethyl]acetamide
CID 34189438
N-[(1R)-1,2-diphenylethyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 125175804
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide
CID 110222235

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothian-4-yl)-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide?
The IUPAC name of 2-[(1,1-dioxothian-4-yl)-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide (CID 95786005) is 2-[(1,1-dioxothian-4-yl)-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide.
What is the SMILES notation for 2-[(1,1-dioxothian-4-yl)-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide?
The canonical SMILES for 2-[(1,1-dioxothian-4-yl)-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide is CN(CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)C1CCS(=O)(=O)CC1.
What is the InChIKey of 2-[(1,1-dioxothian-4-yl)-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide?
The InChIKey is BJHKUTASXFAQFD-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-24(20-12-14-28(26,27)15-13-20)17-22(25)23-21(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-11,20-21H,12-17H2,1H3,(H,23,25)/t21-/m1/s1.
What are the key properties of 2-[(1,1-dioxothian-4-yl)-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide?
2-[(1,1-dioxothian-4-yl)-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide has a molecular weight of 400.54 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothian-4-yl)-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide is sourced from PubChem (CID 95786005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).