N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide

C21H26N2O3S — CID 8640556

IUPACN-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
SMILESCc1ccc([C@@H](NCC(=O)N[C@]2(C)CCS(=O)(=O)C2)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-16-8-10-18(11-9-16)20(17-6-4-3-5-7-17)22-14-19(24)23-21(2)12-13-27(25,26)15-21/h3-11,20,22H,12-15H2,1-2H3,(H,23,24)/t20-,21+/m0/s1
InChIKeyAZWCXLVHEHZQAB-LEWJYISDSA-N
MW386.52 g/mol
LogP2.37
Rot. Bonds6

About N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide

N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide (PubChem CID 8640556) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide.

Molecular Properties

Compound NameN-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
PubChem CID8640556
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
SMILESCc1ccc([C@@H](NCC(=O)N[C@]2(C)CCS(=O)(=O)C2)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-16-8-10-18(11-9-16)20(17-6-4-3-5-7-17)22-14-19(24)23-21(2)12-13-27(25,26)15-21/h3-11,20,22H,12-15H2,1-2H3,(H,23,24)/t20-,21+/m0/s1
InChIKeyAZWCXLVHEHZQAB-LEWJYISDSA-N
XLogP2.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide with MolForge

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Related Compounds

2-(benzhydrylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 46603209
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8868421
N-(4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392626
(3R)-4,4,4-trifluoro-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-phenylbutanamide
CID 95280249
N-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393022
2-chloro-N-[(1R)-3-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 95261853
N-(2-chloro-4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392747
N-(3-methyl-1,1-dioxothiolan-3-yl)-4-oxo-4-phenylbutanamide
CID 78789298
2-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 34274909
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7712979
2-(2-chloro-4-phenylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 42896247
N-(2,6-difluorophenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392689

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
The IUPAC name of N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide (CID 8640556) is N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide.
What is the SMILES notation for N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
The canonical SMILES for N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide is Cc1ccc([C@@H](NCC(=O)N[C@]2(C)CCS(=O)(=O)C2)c2ccccc2)cc1.
What is the InChIKey of N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
The InChIKey is AZWCXLVHEHZQAB-LEWJYISDSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-16-8-10-18(11-9-16)20(17-6-4-3-5-7-17)22-14-19(24)23-21(2)12-13-27(25,26)15-21/h3-11,20,22H,12-15H2,1-2H3,(H,23,24)/t20-,21+/m0/s1.
What are the key properties of N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide has a molecular weight of 386.52 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide is sourced from PubChem (CID 8640556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).